N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine

C21H27ClN2 — CID 4005434

IUPACN-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
SMILESCC(CCc1ccccc1)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-17(7-8-18-5-3-2-4-6-18)24-15-13-21(14-16-24)23-20-11-9-19(22)10-12-20/h2-6,9-12,17,21,23H,7-8,13-16H2,1H3
InChIKeyMVFHKVCDDISRHT-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.24
Rot. Bonds6

About N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine

N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine (PubChem CID 4005434) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
PubChem CID4005434
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
SMILESCC(CCc1ccccc1)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-17(7-8-18-5-3-2-4-6-18)24-15-13-21(14-16-24)23-20-11-9-19(22)10-12-20/h2-6,9-12,17,21,23H,7-8,13-16H2,1H3
InChIKeyMVFHKVCDDISRHT-UHFFFAOYSA-N
XLogP5.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]ethanol
CID 61237683
N-(4-chlorophenyl)-1-ethylpyrrolidin-3-amine
CID 154333311
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
(3aR,6aS)-5-(4-phenylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042255
N-cyclopropyl-4-methyl-1-(4-phenylbutan-2-yl)imidazol-2-amine
CID 106567259
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine (CID 4005434) is N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine is CC(CCc1ccccc1)N1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine?
The InChIKey is MVFHKVCDDISRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-17(7-8-18-5-3-2-4-6-18)24-15-13-21(14-16-24)23-20-11-9-19(22)10-12-20/h2-6,9-12,17,21,23H,7-8,13-16H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine?
N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine has a molecular weight of 342.91 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 4005434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).