4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine

C34H40Cl3N3 — CID 24863251

IUPAC4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CC(N3CCC(N4CCC(Cc5ccccc5)CC4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C34H40Cl3N3/c35-28-8-6-27(7-9-28)34-24-31(16-21-40(34)33-11-10-29(36)23-32(33)37)39-19-14-30(15-20-39)38-17-12-26(13-18-38)22-25-4-2-1-3-5-25/h1-11,23,26,30-31,34H,12-22,24H2
InChIKeyFVHMIJKLOCHZOM-UHFFFAOYSA-N
MW597.07 g/mol
LogP8.78
Rot. Bonds6

About 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine

4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine (PubChem CID 24863251) has the molecular formula C34H40Cl3N3 and a molecular weight of 597.07 g/mol. Its IUPAC name is 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine.

Molecular Properties

Compound Name4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
PubChem CID24863251
Molecular FormulaC34H40Cl3N3
Molecular Weight597.07 g/mol
Exact Mass595.23
IUPAC Name4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CC(N3CCC(N4CCC(Cc5ccccc5)CC4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C34H40Cl3N3/c35-28-8-6-27(7-9-28)34-24-31(16-21-40(34)33-11-10-29(36)23-32(33)37)39-19-14-30(15-20-39)38-17-12-26(13-18-38)22-25-4-2-1-3-5-25/h1-11,23,26,30-31,34H,12-22,24H2
InChIKeyFVHMIJKLOCHZOM-UHFFFAOYSA-N
XLogP8.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.07
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine with MolForge

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Related Compounds

(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932
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
2-(4-chlorophenyl)-N-(cyclobutylmethyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 24863936
1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 11496417
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
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
N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
CID 58956953
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 59261795

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The IUPAC name of 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine (CID 24863251) is 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine.
What is the SMILES notation for 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The canonical SMILES for 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine is Clc1ccc(C2CC(N3CCC(N4CCC(Cc5ccccc5)CC4)CC3)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
The InChIKey is FVHMIJKLOCHZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40Cl3N3/c35-28-8-6-27(7-9-28)34-24-31(16-21-40(34)33-11-10-29(36)23-32(33)37)39-19-14-30(15-20-39)38-17-12-26(13-18-38)22-25-4-2-1-3-5-25/h1-11,23,26,30-31,34H,12-22,24H2.
What are the key properties of 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine?
4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine has a molecular weight of 597.07 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylpiperidin-1-yl)piperidin-1-yl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine is sourced from PubChem (CID 24863251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).