2-chloro-3-phenylpiperidine

C11H14ClN — CID 89323539

IUPAC2-chloro-3-phenylpiperidine
SMILESClC1NCCCC1c1ccccc1
InChIInChI=1S/C11H14ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyBFKTXGSNYHUHDR-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.72
Rot. Bonds1

About 2-chloro-3-phenylpiperidine

2-chloro-3-phenylpiperidine (PubChem CID 89323539) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-chloro-3-phenylpiperidine.

Molecular Properties

Compound Name2-chloro-3-phenylpiperidine
PubChem CID89323539
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name2-chloro-3-phenylpiperidine
SMILESClC1NCCCC1c1ccccc1
InChIInChI=1S/C11H14ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2
InChIKeyBFKTXGSNYHUHDR-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
CID 66811554
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
2-phenylpiperidin-3-ol
CID 18782643
CID 135048454
CID 135048454
(2S)-2-phenylpiperidine
CID 10997356
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
(2S,3S)-3-fluoro-2-phenylpiperidine
CID 167716919
[(2R,3R)-2-phenylpiperidin-3-yl]azanium
CID 59904937
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
(2S,3S)-3-fluoro-2-phenylpiperidine;hydrochloride
CID 167716918
2-(2-phenylcyclopropyl)-3-(trifluoromethyl)piperidine
CID 106781579
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenylpiperidine?
The IUPAC name of 2-chloro-3-phenylpiperidine (CID 89323539) is 2-chloro-3-phenylpiperidine.
What is the SMILES notation for 2-chloro-3-phenylpiperidine?
The canonical SMILES for 2-chloro-3-phenylpiperidine is ClC1NCCCC1c1ccccc1.
What is the InChIKey of 2-chloro-3-phenylpiperidine?
The InChIKey is BFKTXGSNYHUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-3,5-6,10-11,13H,4,7-8H2.
What are the key properties of 2-chloro-3-phenylpiperidine?
2-chloro-3-phenylpiperidine has a molecular weight of 195.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenylpiperidine is sourced from PubChem (CID 89323539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).