1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol

C21H34N2O2 — CID 21241517

IUPAC1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCCN2CCNCC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-25-19-9-7-18(8-10-19)20(21(24)11-3-2-4-12-21)6-5-15-23-16-13-22-14-17-23/h7-10,20,22,24H,2-6,11-17H2,1H3
InChIKeyWAHDFELQJYKUOB-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.16
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol

1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol (PubChem CID 21241517) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
PubChem CID21241517
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol
SMILESCOc1ccc(C(CCCN2CCNCC2)C2(O)CCCCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-25-19-9-7-18(8-10-19)20(21(24)11-3-2-4-12-21)6-5-15-23-16-13-22-14-17-23/h7-10,20,22,24H,2-6,11-17H2,1H3
InChIKeyWAHDFELQJYKUOB-UHFFFAOYSA-N
XLogP3.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
1-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
CID 21241519
1-[3-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-1-(4-methoxyphenyl)propyl]cyclohexan-1-ol
CID 21241495
1-[1-[4-methoxy-3-(trifluoromethoxy)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 59701176
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
1-[1-[4-methoxy-3-(4-methylphenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037078
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
[(2S)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-bis(trideuteriomethyl)azanium
CID 59807272

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol (CID 21241517) is 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol is COc1ccc(C(CCCN2CCNCC2)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol?
The InChIKey is WAHDFELQJYKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-25-19-9-7-18(8-10-19)20(21(24)11-3-2-4-12-21)6-5-15-23-16-13-22-14-17-23/h7-10,20,22,24H,2-6,11-17H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol?
1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol has a molecular weight of 346.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-4-piperazin-1-ylbutyl]cyclohexan-1-ol is sourced from PubChem (CID 21241517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).