N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine

C17H18Cl2N2 — CID 106820286

IUPACN-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
SMILESClc1cccc(NC2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(17(15)19)20-13-9-11-21(12-10-13)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKeyYFVLJPDCCZGBGW-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.07
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine

N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine (PubChem CID 106820286) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
PubChem CID106820286
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC NameN-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
SMILESClc1cccc(NC2CCN(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(17(15)19)20-13-9-11-21(12-10-13)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKeyYFVLJPDCCZGBGW-UHFFFAOYSA-N
XLogP5.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820276
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
2-(2,3-dichloroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002179
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
N-(2,3-dichlorophenyl)thiolan-3-amine
CID 43209589
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 50970392
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine (CID 106820286) is N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine is Clc1cccc(NC2CCN(c3ccccc3)CC2)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine?
The InChIKey is YFVLJPDCCZGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-7-4-8-16(17(15)19)20-13-9-11-21(12-10-13)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2.
What are the key properties of N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine?
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine has a molecular weight of 321.25 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 106820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).