(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine

C20H24ClN — CID 122605589

IUPAC(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
SMILESCCC(c1ccc(-c2ccccc2)cc1)[C@H]1CCCCN1Cl
InChIInChI=1S/C20H24ClN/c1-2-19(20-10-6-7-15-22(20)21)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,19-20H,2,6-7,10,15H2,1H3/t19?,20-/m1/s1
InChIKeyFTMKUBSNYQBBNS-GFOWMXPYSA-N
MW313.87 g/mol
LogP5.86
Rot. Bonds4

About (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine

(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine (PubChem CID 122605589) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine.

Molecular Properties

Compound Name(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
PubChem CID122605589
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
SMILESCCC(c1ccc(-c2ccccc2)cc1)[C@H]1CCCCN1Cl
InChIInChI=1S/C20H24ClN/c1-2-19(20-10-6-7-15-22(20)21)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,19-20H,2,6-7,10,15H2,1H3/t19?,20-/m1/s1
InChIKeyFTMKUBSNYQBBNS-GFOWMXPYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
CID 95789765
3-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propanoic acid
CID 124683465
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
2-[1-(1-methylpiperidin-2-yl)propyl]aniline
CID 20560084
1-[(4-ethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4557631
5-[1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl-(4-phenylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68861732
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine?
The IUPAC name of (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine (CID 122605589) is (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine.
What is the SMILES notation for (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine?
The canonical SMILES for (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine is CCC(c1ccc(-c2ccccc2)cc1)[C@H]1CCCCN1Cl.
What is the InChIKey of (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine?
The InChIKey is FTMKUBSNYQBBNS-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-2-19(20-10-6-7-15-22(20)21)18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,19-20H,2,6-7,10,15H2,1H3/t19?,20-/m1/s1.
What are the key properties of (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine?
(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine has a molecular weight of 313.87 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine is sourced from PubChem (CID 122605589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).