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

C18H21ClN2 — CID 867299

IUPAC1-benzyl-N-(4-chlorophenyl)piperidin-4-amine
SMILESClc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-16-6-8-17(9-7-16)20-18-10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2
InChIKeyPBIFXKDAVNPOMV-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.42
Rot. Bonds4

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

1-benzyl-N-(4-chlorophenyl)piperidin-4-amine (PubChem CID 867299) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-chlorophenyl)piperidin-4-amine
PubChem CID867299
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name1-benzyl-N-(4-chlorophenyl)piperidin-4-amine
SMILESClc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H21ClN2/c19-16-6-8-17(9-7-16)20-18-10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2
InChIKeyPBIFXKDAVNPOMV-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.42
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)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine (CID 867299) is 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine is Clc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine?
The InChIKey is PBIFXKDAVNPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-16-6-8-17(9-7-16)20-18-10-12-21(13-11-18)14-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2.
What are the key properties of 1-benzyl-N-(4-chlorophenyl)piperidin-4-amine?
1-benzyl-N-(4-chlorophenyl)piperidin-4-amine has a molecular weight of 300.83 g/mol, XLogP of 4.42, 4 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)piperidin-4-amine is sourced from PubChem (CID 867299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).