1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol

C31H40N2O2 — CID 59701292

IUPAC1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2ccc(OCCc3cccc4ccccc34)cc2)C2(O)CCCCC2)CC1
InChIInChI=1S/C31H40N2O2/c1-32-19-21-33(22-20-32)24-30(31(34)17-5-2-6-18-31)27-12-14-28(15-13-27)35-23-16-26-10-7-9-25-8-3-4-11-29(25)26/h3-4,7-15,30,34H,2,5-6,16-24H2,1H3
InChIKeyIHFOBHKPSYBGMW-UHFFFAOYSA-N
MW472.67 g/mol
LogP5.49
Rot. Bonds8

About 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol

1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 59701292) has the molecular formula C31H40N2O2 and a molecular weight of 472.67 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol
PubChem CID59701292
Molecular FormulaC31H40N2O2
Molecular Weight472.67 g/mol
Exact Mass472.31
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILESCN1CCN(CC(c2ccc(OCCc3cccc4ccccc34)cc2)C2(O)CCCCC2)CC1
InChIInChI=1S/C31H40N2O2/c1-32-19-21-33(22-20-32)24-30(31(34)17-5-2-6-18-31)27-12-14-28(15-13-27)35-23-16-26-10-7-9-25-8-3-4-11-29(25)26/h3-4,7-15,30,34H,2,5-6,16-24H2,1H3
InChIKeyIHFOBHKPSYBGMW-UHFFFAOYSA-N
XLogP5.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-1-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]cyclohexan-1-ol
CID 59701240
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
1-[1-[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855415
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
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
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclohexan-1-ol;hydrochloride
CID 68855549
4-[2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 91024951
1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 72817720
1-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
CID 11363941
4-tert-butyl-1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclohexan-1-ol
CID 11269823
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol (CID 59701292) is 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol is CN1CCN(CC(c2ccc(OCCc3cccc4ccccc34)cc2)C2(O)CCCCC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is IHFOBHKPSYBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O2/c1-32-19-21-33(22-20-32)24-30(31(34)17-5-2-6-18-31)27-12-14-28(15-13-27)35-23-16-26-10-7-9-25-8-3-4-11-29(25)26/h3-4,7-15,30,34H,2,5-6,16-24H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol?
1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 472.67 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-1-[4-(2-naphthalen-1-ylethoxy)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 59701292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).