1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol

C23H32N2O2 — CID 163439773

IUPAC1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCOc1ccc2cc(C3(O)CCCCC3CN3CCN(C)CC3)ccc2c1
InChIInChI=1S/C23H32N2O2/c1-24-11-13-25(14-12-24)17-21-5-3-4-10-23(21,26)20-8-6-19-16-22(27-2)9-7-18(19)15-20/h6-9,15-16,21,26H,3-5,10-14,17H2,1-2H3
InChIKeyAXNOXCBMKDYGAB-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.47
Rot. Bonds4

About 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol

1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 163439773) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
PubChem CID163439773
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
SMILESCOc1ccc2cc(C3(O)CCCCC3CN3CCN(C)CC3)ccc2c1
InChIInChI=1S/C23H32N2O2/c1-24-11-13-25(14-12-24)17-21-5-3-4-10-23(21,26)20-8-6-19-16-22(27-2)9-7-18(19)15-20/h6-9,15-16,21,26H,3-5,10-14,17H2,1-2H3
InChIKeyAXNOXCBMKDYGAB-UHFFFAOYSA-N
XLogP3.47
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
[4-hydroxy-4-(6-methoxynaphthalen-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] 2-methylbenzoate
CID 69134607
4-[(3-methoxyphenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
CID 69134598
2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 10308365
4-[(2,6-dichlorophenyl)methyl]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
CID 154075690
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-(azepan-1-ylmethyl)-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 10125712
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
4-[(4-fluorophenyl)methoxy]-2-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-2-ylcyclohexan-1-ol
CID 69134846
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
ethyl-[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-dimethylazanium iodide
CID 44662031
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol (CID 163439773) is 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol is COc1ccc2cc(C3(O)CCCCC3CN3CCN(C)CC3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is AXNOXCBMKDYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-24-11-13-25(14-12-24)17-21-5-3-4-10-23(21,26)20-8-6-19-16-22(27-2)9-7-18(19)15-20/h6-9,15-16,21,26H,3-5,10-14,17H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol?
1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 368.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 163439773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).