1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

C20H30N2O — CID 11232276

IUPAC1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC=Cc1cccc(C(CN2CCNCC2)C2(O)CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-2-17-7-6-8-18(15-17)19(16-22-13-11-21-12-14-22)20(23)9-4-3-5-10-20/h2,6-8,15,19,21,23H,1,3-5,9-14,16H2
InChIKeyHRFQBXHJHFYKGF-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.01
Rot. Bonds5

About 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol

1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (PubChem CID 11232276) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
PubChem CID11232276
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
SMILESC=Cc1cccc(C(CN2CCNCC2)C2(O)CCCCC2)c1
InChIInChI=1S/C20H30N2O/c1-2-17-7-6-8-18(15-17)19(16-22-13-11-21-12-14-22)20(23)9-4-3-5-10-20/h2,6-8,15,19,21,23H,1,3-5,9-14,16H2
InChIKeyHRFQBXHJHFYKGF-UHFFFAOYSA-N
XLogP3.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
CID 11199492
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
chloro hypochlorite;1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclobutan-1-ol
CID 159444729
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
1-[2-piperazin-1-yl-1-(4-prop-1-ynylphenyl)ethyl]cyclohexan-1-ol
CID 11738909
4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
CID 59701186
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707
1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol (CID 11232276) is 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is C=Cc1cccc(C(CN2CCNCC2)C2(O)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
The InChIKey is HRFQBXHJHFYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-17-7-6-8-18(15-17)19(16-22-13-11-21-12-14-22)20(23)9-4-3-5-10-20/h2,6-8,15,19,21,23H,1,3-5,9-14,16H2.
What are the key properties of 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol?
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol has a molecular weight of 314.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 11232276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).