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

C18H21ClN2 — CID 130137250

IUPAC1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
SMILESNC1(c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)18(20)11-4-12-21(14-18)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2
InChIKeyOHZAKNNSEFEFAY-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.79
Rot. Bonds3

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

1-benzyl-3-(4-chlorophenyl)piperidin-3-amine (PubChem CID 130137250) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
PubChem CID130137250
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
SMILESNC1(c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)18(20)11-4-12-21(14-18)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2
InChIKeyOHZAKNNSEFEFAY-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
ethyl 4-(3-amino-1-benzylpiperidin-3-yl)benzoate
CID 130407925
1-benzyl-3-pyridin-2-ylpiperidin-3-amine
CID 83693801
1-benzyl-3-(furan-2-yl)piperidin-3-amine
CID 83693426
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(4-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 171593524
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-[4-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793947
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine (CID 130137250) is 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine is NC1(c2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine?
The InChIKey is OHZAKNNSEFEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-9-7-16(8-10-17)18(20)11-4-12-21(14-18)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine?
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine has a molecular weight of 300.83 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)piperidin-3-amine is sourced from PubChem (CID 130137250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).