2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile

C20H29N3O — CID 23111447

IUPAC2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1N1CCN(CCCC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O/c21-16-18-15-19(24)8-9-20(18)23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h8-9,15,17,24H,1-7,10-14H2
InChIKeyMAGBCHHDNYXCCF-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile

2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile (PubChem CID 23111447) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile
PubChem CID23111447
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1N1CCN(CCCC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O/c21-16-18-15-19(24)8-9-20(18)23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h8-9,15,17,24H,1-7,10-14H2
InChIKeyMAGBCHHDNYXCCF-UHFFFAOYSA-N
XLogP3.75
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxyimipramine
CID 108051
Phenol, p-(dibenzylamino)-
CID 81978
2-Hydroxytrimipramine
CID 160610
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
1-Benzyl-2,2,4-trimethylquinolin-6-ol
CID 45484215
8-Hydroxymianserin
CID 162817
1-Benzyl-2,2-dimethylquinolin-6-ol
CID 45484219
2,2,4-Trimethyl-1-[(4-methylphenyl)methyl]quinolin-6-ol
CID 45484251
1-Benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
CID 50993933
1-[(3,4-Difluorophenyl)methyl]-2,2,4-trimethylquinolin-6-ol;hydrochloride
CID 53317420
3-[3-(4-Phenylpiperazin-1-yl)propyl]phenol;hydrochloride
CID 90656709
3-[4-(4-Phenylpiperazin-1-yl)butyl]phenol
CID 90656710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile?
The IUPAC name of 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile (CID 23111447) is 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile.
What is the SMILES notation for 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile?
The canonical SMILES for 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile is N#Cc1cc(O)ccc1N1CCN(CCCC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile?
The InChIKey is MAGBCHHDNYXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c21-16-18-15-19(24)8-9-20(18)23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h8-9,15,17,24H,1-7,10-14H2.
What are the key properties of 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile?
2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile has a molecular weight of 327.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclohexylpropyl)piperazin-1-yl]-5-hydroxybenzonitrile is sourced from PubChem (CID 23111447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).