1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-3-(4-bromophenyl)piperidine;hydrochloride

2.1.2 InChI

InChI=1S/C11H14BrN.ClH/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10;/h3-6,10,13H,1-2,7-8H2;1H/t10-;/m1./s1

2.1.3 InChI Key

PUVMREVNYDUTMM-HNCPQSOCSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2141967-71-5

2. (3s)-3-(4-bromophenyl)piperidine;hydrochloride

3. Schembl19459257

4. Mfcd26544682

5. (3s)-3-(4-bromophenyl)piperidine Hydrochloride

2.3 Create Date

2018-01-29

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅BrClN
Molecular Weight	276.60 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	12
Heavy Atom Count	14
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 2141967-71-5