1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol

C21H34ClN3O — CID 75454258

IUPAC1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCN(C)CCN1CCC(NC2CCC(O)(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H34ClN3O/c1-24(2)14-15-25-12-8-20(9-13-25)23-19-6-10-21(26,11-7-19)17-4-3-5-18(22)16-17/h3-5,16,19-20,23,26H,6-15H2,1-2H3
InChIKeyGLNAQPDDRQKMTH-UHFFFAOYSA-N
MW379.98 g/mol
LogP3.09
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol

1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 75454258) has the molecular formula C21H34ClN3O and a molecular weight of 379.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID75454258
Molecular FormulaC21H34ClN3O
Molecular Weight379.98 g/mol
Exact Mass379.24
IUPAC Name1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCN(C)CCN1CCC(NC2CCC(O)(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C21H34ClN3O/c1-24(2)14-15-25-12-8-20(9-13-25)23-19-6-10-21(26,11-7-19)17-4-3-5-18(22)16-17/h3-5,16,19-20,23,26H,6-15H2,1-2H3
InChIKeyGLNAQPDDRQKMTH-UHFFFAOYSA-N
XLogP3.09
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

(3r)-3-[(1s)-4-(Acetylamino)-1-(3-Chlorophenyl)-1-Hydroxybutyl]-N-{(1s)-2-Cyclohexyl-1-[(Methylamino)methyl]ethyl}piperidine-1-Carboxamide
CID 44543660
1-[(1R)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11349975
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11349977
1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
CID 11383887
(R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-(3-methylureido)butyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
CID 46225036
(R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-propionamidobutyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
CID 46225073
(R)-3-((S)-1-(3-chlorophenyl)-1-hydroxy-4-ureidobutyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
CID 46225037
(R)-3-((S)-1-(3-chlorophenyl)-4-(3,3-dimethylureido)-1-hydroxybutyl)-N-((S)-1-cyclohexyl-3-(methylamino)propan-2-yl)piperidine-1-carboxamide
CID 46225013
1,1-Bis(4-chlorophenyl)-2-{[2-(diethylamino)ethyl]amino}-1-ethanol
CID 3805868
[(2S)-2-[[(3R)-3-[(1S)-4-acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]piperidine-1-carbonyl]amino]-3-cyclohexylpropyl]-methylazanium
CID 72200109
(4-Chlorophenyl)(phenyl)(piperidin-2-yl)methanol--hydrogen chloride (1/1)
CID 3064309
1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cyclohexanol
CID 10381502

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol (CID 75454258) is 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol is CN(C)CCN1CCC(NC2CCC(O)(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is GLNAQPDDRQKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClN3O/c1-24(2)14-15-25-12-8-20(9-13-25)23-19-6-10-21(26,11-7-19)17-4-3-5-18(22)16-17/h3-5,16,19-20,23,26H,6-15H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol?
1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 379.98 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 75454258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).