2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine

C22H25Cl3N2 — CID 24863936

IUPAC2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
SMILESClc1ccc(C2CC(NCC3CCC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H25Cl3N2/c23-17-6-4-16(5-7-17)22-13-19(26-14-15-2-1-3-15)10-11-27(22)21-9-8-18(24)12-20(21)25/h4-9,12,15,19,22,26H,1-3,10-11,13-14H2
InChIKeyMMLPGADPJJBEMK-UHFFFAOYSA-N
MW423.82 g/mol
LogP6.75
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine

2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine (PubChem CID 24863936) has the molecular formula C22H25Cl3N2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
PubChem CID24863936
Molecular FormulaC22H25Cl3N2
Molecular Weight423.82 g/mol
Exact Mass422.11
IUPAC Name2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
SMILESClc1ccc(C2CC(NCC3CCC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H25Cl3N2/c23-17-6-4-16(5-7-17)22-13-19(26-14-15-2-1-3-15)10-11-27(22)21-9-8-18(24)12-20(21)25/h4-9,12,15,19,22,26H,1-3,10-11,13-14H2
InChIKeyMMLPGADPJJBEMK-UHFFFAOYSA-N
XLogP6.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.82
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]ethanol
CID 24862921
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 24862762
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidin-4-amine
CID 24863080
(2Z)-1-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]penta-2,4-dien-2-ol
CID 143508648
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932
2-[[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]amino]propan-1-ol
CID 24862922
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenylacetamide
CID 71176016
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
CID 143508644
N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
CID 58956953
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
CID 71176163
N-[(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-pyridin-4-yloxybenzenesulfonamide
CID 71175476

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine (CID 24863936) is 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine is Clc1ccc(C2CC(NCC3CCC3)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The InChIKey is MMLPGADPJJBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl3N2/c23-17-6-4-16(5-7-17)22-13-19(26-14-15-2-1-3-15)10-11-27(22)21-9-8-18(24)12-20(21)25/h4-9,12,15,19,22,26H,1-3,10-11,13-14H2.
What are the key properties of 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine has a molecular weight of 423.82 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine is sourced from PubChem (CID 24863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).