[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone

C21H31ClN2O — CID 143751367

IUPAC[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone
SMILESCNC1CCCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C21H31ClN2O/c1-21(2)14-24(20(25)17-6-4-5-7-19(17)23-3)13-12-18(21)15-8-10-16(22)11-9-15/h8-11,17-19,23H,4-7,12-14H2,1-3H3
InChIKeyUIKZNAYGNAJVAU-UHFFFAOYSA-N
MW362.95 g/mol
LogP4.46
Rot. Bonds3

About [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone

[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone (PubChem CID 143751367) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone
PubChem CID143751367
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone
SMILESCNC1CCCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C21H31ClN2O/c1-21(2)14-24(20(25)17-6-4-5-7-19(17)23-3)13-12-18(21)15-8-10-16(22)11-9-15/h8-11,17-19,23H,4-7,12-14H2,1-3H3
InChIKeyUIKZNAYGNAJVAU-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-aminocyclohexyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]methanone
CID 71038122
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone
CID 143751466
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]formamide
CID 58457296
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide
CID 143751322
1-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-propan-2-ylurea
CID 25176398
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide
CID 25174791
N'-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]butanediamide
CID 59474997
1-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 70943368
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-3-methylcyclopentane-1-carboxamide
CID 77409246

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone (CID 143751367) is [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone is CNC1CCCCC1C(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone?
The InChIKey is UIKZNAYGNAJVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O/c1-21(2)14-24(20(25)17-6-4-5-7-19(17)23-3)13-12-18(21)15-8-10-16(22)11-9-15/h8-11,17-19,23H,4-7,12-14H2,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone?
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone has a molecular weight of 362.95 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 143751367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).