1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine

C19H23ClN2 — CID 784405

IUPAC1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
InChIKeyNQBDQXKOFMTXFA-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.09
Rot. Bonds5

About 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine

1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine (PubChem CID 784405) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
PubChem CID784405
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
InChIKeyNQBDQXKOFMTXFA-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine (CID 784405) is 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine is Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
The InChIKey is NQBDQXKOFMTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2.
What are the key properties of 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine?
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine has a molecular weight of 314.86 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 784405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).