2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine

C20H25ClN2 — CID 68756665

IUPAC2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2/c21-19-8-6-17(7-9-19)20-15-23(13-11-18(20)10-12-22)14-16-4-2-1-3-5-16/h1-9,18,20H,10-15,22H2
InChIKeyXJEGYYXGCYTDSB-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.29
Rot. Bonds5

About 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine

2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine (PubChem CID 68756665) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
PubChem CID68756665
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2/c21-19-8-6-17(7-9-19)20-15-23(13-11-18(20)10-12-22)14-16-4-2-1-3-5-16/h1-9,18,20H,10-15,22H2
InChIKeyXJEGYYXGCYTDSB-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]methanediol
CID 59438124
2-[(3S,4R)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethanamine
CID 68954239
(1R)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol;(1S)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol
CID 162260997
1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 4991366
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
(3S,4R)-1-benzyl-3-(4-chlorophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 59438190
sodium (3S,4R)-1-benzyl-4-(4-chlorophenyl)pyrrolidine-3-sulfinate
CID 165455948
3-(4-chlorophenyl)-4-methyl-1-(2-phenylethyl)piperidine
CID 91295133
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine (CID 68756665) is 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine is NCCC1CCN(Cc2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine?
The InChIKey is XJEGYYXGCYTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c21-19-8-6-17(7-9-19)20-15-23(13-11-18(20)10-12-22)14-16-4-2-1-3-5-16/h1-9,18,20H,10-15,22H2.
What are the key properties of 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine?
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine has a molecular weight of 328.89 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 68756665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).