1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol

C21H29N3O — CID 11256286

IUPAC1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C21H29N3O/c25-21(8-4-1-5-9-21)19(16-24-12-10-22-11-13-24)18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,14-15,19,22,25H,1,4-5,8-13,16H2
InChIKeyMGCWVDDXPPKNQT-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol

1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol (PubChem CID 11256286) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
PubChem CID11256286
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
SMILESOC1(C(CN2CCNCC2)c2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C21H29N3O/c25-21(8-4-1-5-9-21)19(16-24-12-10-22-11-13-24)18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,14-15,19,22,25H,1,4-5,8-13,16H2
InChIKeyMGCWVDDXPPKNQT-UHFFFAOYSA-N
XLogP2.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
CID 103452070
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
tert-butyl 2-[2-(1-hydroxycyclohexyl)-2-quinolin-3-ylethyl]piperazine-1-carboxylate
CID 141116433
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
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-fluoro-4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68851913
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclohexan-1-ol;hydrochloride
CID 68855549

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol (CID 11256286) is 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol is OC1(C(CN2CCNCC2)c2cnc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol?
The InChIKey is MGCWVDDXPPKNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21(8-4-1-5-9-21)19(16-24-12-10-22-11-13-24)18-14-17-6-2-3-7-20(17)23-15-18/h2-3,6-7,14-15,19,22,25H,1,4-5,8-13,16H2.
What are the key properties of 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol?
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 11256286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).