CAS 3967-32-6

1 2D Structure

CAS 3967-32-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

2.1.2 InChI

InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3

2.1.3 InChI Key

NPSCPXDYXVEYQW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O

2.2 Other Identifiers

2.2.1 UNII

FW58SL2OZQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3967-32-6

2. 5-(1-methyl-4-piperidyl)5h-dibenzo

3. 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol

4. 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

5. 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

6. 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

7. Fw58sl2ozq

8. Dtxsid20863311

9. Zinc33985905

10. Cyproheptadine Related Compound C

11. Ft-0778032

12. Cyproheptadine Related Compound C [usp-rs]

13. Cyproheptadine Related Compound C [usp Impurity]

14. 5-(1-methyl-piperidin-4-yl)-5h-dibenzo(a,d)cyclohepten-5-ol

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₃NO
Molecular Weight	305.4 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	305.177964357 g/mol
Monoisotopic Mass	305.177964357 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	411
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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