N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine

C19H23ClN2 — CID 69343769

IUPACN-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine
SMILESClc1cccc(-c2cccc(CCNC3CCNCC3)c2)c1
InChIInChI=1S/C19H23ClN2/c20-18-6-2-5-17(14-18)16-4-1-3-15(13-16)7-12-22-19-8-10-21-11-9-19/h1-6,13-14,19,21-22H,7-12H2
InChIKeySOMLZVKVMLBNDF-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.89
Rot. Bonds5

About N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine

N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine (PubChem CID 69343769) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine
PubChem CID69343769
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine
SMILESClc1cccc(-c2cccc(CCNC3CCNCC3)c2)c1
InChIInChI=1S/C19H23ClN2/c20-18-6-2-5-17(14-18)16-4-1-3-15(13-16)7-12-22-19-8-10-21-11-9-19/h1-6,13-14,19,21-22H,7-12H2
InChIKeySOMLZVKVMLBNDF-UHFFFAOYSA-N
XLogP3.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
N-(3-chlorophenyl)azepan-4-amine
CID 105482710
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
3-[2-(3-chlorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 71670669

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine?
The IUPAC name of N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine (CID 69343769) is N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine is Clc1cccc(-c2cccc(CCNC3CCNCC3)c2)c1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine?
The InChIKey is SOMLZVKVMLBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c20-18-6-2-5-17(14-18)16-4-1-3-15(13-16)7-12-22-19-8-10-21-11-9-19/h1-6,13-14,19,21-22H,7-12H2.
What are the key properties of N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine?
N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine has a molecular weight of 314.86 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)phenyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 69343769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).