(2S)-2-(4-bromophenyl)piperidine

C11H14BrN — CID 7022866

IUPAC(2S)-2-(4-bromophenyl)piperidine
SMILESBrc1ccc([C@@H]2CCCCN2)cc1
InChIInChI=1S/C11H14BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m0/s1
InChIKeyGHEZGFYJGORZRD-NSHDSACASA-N
MW240.14 g/mol
LogP3.26
Rot. Bonds1

About (2S)-2-(4-bromophenyl)piperidine

(2S)-2-(4-bromophenyl)piperidine (PubChem CID 7022866) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)piperidine
PubChem CID7022866
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(2S)-2-(4-bromophenyl)piperidine
SMILESBrc1ccc([C@@H]2CCCCN2)cc1
InChIInChI=1S/C11H14BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m0/s1
InChIKeyGHEZGFYJGORZRD-NSHDSACASA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-bromophenyl)azetidine
CID 91980119
4-piperidin-2-ylphenol
CID 19711202
(2S)-2-phenylpiperidine
CID 10997356
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2R)-2-(4-ethynylphenyl)piperidine
CID 130616360
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-[4-(4-methylcyclohexyl)phenyl]piperidine
CID 117397291
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
N-cyclopentyl-4-piperidin-2-ylaniline
CID 145056454
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)piperidine?
The IUPAC name of (2S)-2-(4-bromophenyl)piperidine (CID 7022866) is (2S)-2-(4-bromophenyl)piperidine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)piperidine?
The canonical SMILES for (2S)-2-(4-bromophenyl)piperidine is Brc1ccc([C@@H]2CCCCN2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)piperidine?
The InChIKey is GHEZGFYJGORZRD-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)piperidine?
(2S)-2-(4-bromophenyl)piperidine has a molecular weight of 240.14 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)piperidine is sourced from PubChem (CID 7022866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).