1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine

C20H31ClN2 — CID 68853104

IUPAC1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
SMILESCNC1CCCCN1CC(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C20H31ClN2/c1-22-20-12-5-6-13-23(20)15-19(16-8-3-2-4-9-16)17-10-7-11-18(21)14-17/h7,10-11,14,16,19-20,22H,2-6,8-9,12-13,15H2,1H3
InChIKeyRSUKHSWUBFGHEI-UHFFFAOYSA-N
MW334.93 g/mol
LogP5.04
Rot. Bonds5

About 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine

1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine (PubChem CID 68853104) has the molecular formula C20H31ClN2 and a molecular weight of 334.93 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
PubChem CID68853104
Molecular FormulaC20H31ClN2
Molecular Weight334.93 g/mol
Exact Mass334.22
IUPAC Name1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
SMILESCNC1CCCCN1CC(c1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C20H31ClN2/c1-22-20-12-5-6-13-23(20)15-19(16-8-3-2-4-9-16)17-10-7-11-18(21)14-17/h7,10-11,14,16,19-20,22H,2-6,8-9,12-13,15H2,1H3
InChIKeyRSUKHSWUBFGHEI-UHFFFAOYSA-N
XLogP5.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.93
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine
CID 141046564
1-(3,3-diphenylpropyl)-N-methylpiperidin-2-amine;dihydrochloride
CID 141046563
1-[1-(3-chlorophenyl)-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethyl]cyclohexan-1-ol
CID 59701265
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine (CID 68853104) is 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine is CNC1CCCCN1CC(c1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine?
The InChIKey is RSUKHSWUBFGHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2/c1-22-20-12-5-6-13-23(20)15-19(16-8-3-2-4-9-16)17-10-7-11-18(21)14-17/h7,10-11,14,16,19-20,22H,2-6,8-9,12-13,15H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine?
1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine has a molecular weight of 334.93 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine is sourced from PubChem (CID 68853104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).