1-benzyl-3-(3-chlorophenyl)piperidin-4-amine

C18H21ClN2 — CID 11601858

IUPAC1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
SMILESNC1CCN(Cc2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2/c19-16-8-4-7-15(11-16)17-13-21(10-9-18(17)20)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,20H2
InChIKeyKWBFCANYBOTJPZ-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.66
Rot. Bonds3

About 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine

1-benzyl-3-(3-chlorophenyl)piperidin-4-amine (PubChem CID 11601858) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
PubChem CID11601858
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
SMILESNC1CCN(Cc2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2/c19-16-8-4-7-15(11-16)17-13-21(10-9-18(17)20)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,20H2
InChIKeyKWBFCANYBOTJPZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
CID 131117119
(3R,4S)-1-benzyl-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 46839560
(3S,4S)-1-benzyl-3-thiophen-2-ylpiperidin-4-amine
CID 45254789
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
2-[1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanamine
CID 68756665
1-benzyl-4-(3-chlorophenyl)piperidin-3-one
CID 141447100
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744
1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 51063843
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine (CID 11601858) is 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine is NC1CCN(Cc2ccccc2)CC1c1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine?
The InChIKey is KWBFCANYBOTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-16-8-4-7-15(11-16)17-13-21(10-9-18(17)20)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13,20H2.
What are the key properties of 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine?
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine has a molecular weight of 300.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-chlorophenyl)piperidin-4-amine is sourced from PubChem (CID 11601858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).