4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol

C21H34N2O — CID 143036918

IUPAC4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCc1cccc(C(CN2CCN(C)CC2)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C21H34N2O/c1-17-7-9-21(24,10-8-17)20(19-6-4-5-18(2)15-19)16-23-13-11-22(3)12-14-23/h4-6,15,17,20,24H,7-14,16H2,1-3H3
InChIKeyQMQYOPGVSSGALK-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.27
Rot. Bonds4

About 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol

4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (PubChem CID 143036918) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
PubChem CID143036918
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESCc1cccc(C(CN2CCN(C)CC2)C2(O)CCC(C)CC2)c1
InChIInChI=1S/C21H34N2O/c1-17-7-9-21(24,10-8-17)20(19-6-4-5-18(2)15-19)16-23-13-11-22(3)12-14-23/h4-6,15,17,20,24H,7-14,16H2,1-3H3
InChIKeyQMQYOPGVSSGALK-UHFFFAOYSA-N
XLogP3.27
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-ethylcyclohexan-1-ol;dihydrochloride
CID 68853180
(3R)-1-[1-[3-(1,1-difluoroethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3-methylcyclopentan-1-ol
CID 143037709
2-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59701308
1-[1-(3-bromophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 68854149
4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 11269823
1,3-bis[1-[4-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 69020924
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
1,3-bis[1-[4-(4-methylphenyl)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 69020923
5-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulen-5-ol
CID 143036814
1-[2-(4-methylpiperazin-1-yl)-1-[4-(3-nitrophenyl)phenyl]ethyl]cyclohexan-1-ol
CID 11441641
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol (CID 143036918) is 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol is Cc1cccc(C(CN2CCN(C)CC2)C2(O)CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The InChIKey is QMQYOPGVSSGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-17-7-9-21(24,10-8-17)20(19-6-4-5-18(2)15-19)16-23-13-11-22(3)12-14-23/h4-6,15,17,20,24H,7-14,16H2,1-3H3.
What are the key properties of 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol has a molecular weight of 330.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).