(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine

C19H21ClFN — CID 129041007

IUPAC(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCCC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H21ClFN/c1-14(15-7-3-2-4-8-15)22-10-6-5-9-19(22)16-11-17(20)13-18(21)12-16/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t14-,19+/m1/s1
InChIKeyPDMGAAWHQMXZHU-KUHUBIRLSA-N
MW317.84 g/mol
LogP5.77
Rot. Bonds3

About (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine

(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine (PubChem CID 129041007) has the molecular formula C19H21ClFN and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine
PubChem CID129041007
Molecular FormulaC19H21ClFN
Molecular Weight317.84 g/mol
Exact Mass317.13
IUPAC Name(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine
SMILESC[C@H](c1ccccc1)N1CCCC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C19H21ClFN/c1-14(15-7-3-2-4-8-15)22-10-6-5-9-19(22)16-11-17(20)13-18(21)12-16/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t14-,19+/m1/s1
InChIKeyPDMGAAWHQMXZHU-KUHUBIRLSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Chlorcyclizine Hydrochloride
CID 62413
Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
CID 92303
Clocinizine
CID 5375618
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Chlorcyclizine, (R)-
CID 688438
1-(1,2-Diphenylethyl)piperidine;hydrochloride
CID 206665
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The IUPAC name of (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine (CID 129041007) is (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine.
What is the SMILES notation for (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The canonical SMILES for (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine is C[C@H](c1ccccc1)N1CCCC[C@H]1c1cc(F)cc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine?
The InChIKey is PDMGAAWHQMXZHU-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H21ClFN/c1-14(15-7-3-2-4-8-15)22-10-6-5-9-19(22)16-11-17(20)13-18(21)12-16/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t14-,19+/m1/s1.
What are the key properties of (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine?
(2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine has a molecular weight of 317.84 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloro-5-fluorophenyl)-1-[(1R)-1-phenylethyl]piperidine is sourced from PubChem (CID 129041007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).