N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine

C21H27ClN2 — CID 110826503

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H27ClN2/c1-17-5-9-19(10-6-17)21(24-13-3-2-4-14-24)16-23-15-18-7-11-20(22)12-8-18/h5-12,21,23H,2-4,13-16H2,1H3
InChIKeyFUONGRZEAOSHMJ-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.97
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine

N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine (PubChem CID 110826503) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
PubChem CID110826503
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
SMILESCc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H27ClN2/c1-17-5-9-19(10-6-17)21(24-13-3-2-4-14-24)16-23-15-18-7-11-20(22)12-8-18/h5-12,21,23H,2-4,13-16H2,1H3
InChIKeyFUONGRZEAOSHMJ-UHFFFAOYSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 110826713
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
4-[[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 119137893
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine (CID 110826503) is N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine is Cc1ccc(C(CNCc2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is FUONGRZEAOSHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-17-5-9-19(10-6-17)21(24-13-3-2-4-14-24)16-23-15-18-7-11-20(22)12-8-18/h5-12,21,23H,2-4,13-16H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine?
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 342.91 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 110826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).