N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine

C19H23ClN2 — CID 52934004

IUPACN-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1cccc(NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H23ClN2/c20-17-7-4-8-19(15-17)21-18-10-13-22(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18,21H,9-14H2
InChIKeyPGKHYLYZXSVXTF-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.46
Rot. Bonds5

About N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine

N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 52934004) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine
PubChem CID52934004
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESClc1cccc(NC2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H23ClN2/c20-17-7-4-8-19(15-17)21-18-10-13-22(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18,21H,9-14H2
InChIKeyPGKHYLYZXSVXTF-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine (CID 52934004) is N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine is Clc1cccc(NC2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is PGKHYLYZXSVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-17-7-4-8-19(15-17)21-18-10-13-22(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18,21H,9-14H2.
What are the key properties of N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine?
N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 314.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 52934004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).