1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol

C19H30N2O — CID 18430919

IUPAC1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESOC1(CCN2CCN(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H30N2O/c22-19(9-5-2-6-10-19)11-12-20-13-15-21(16-14-20)17-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2
InChIKeyUDWYMAJETAIONL-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol

1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol (PubChem CID 18430919) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
PubChem CID18430919
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
SMILESOC1(CCN2CCN(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H30N2O/c22-19(9-5-2-6-10-19)11-12-20-13-15-21(16-14-20)17-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2
InChIKeyUDWYMAJETAIONL-UHFFFAOYSA-N
XLogP2.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-benzylazepane
CID 10954328
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
CID 23912288
3-(4-benzyl-1,4-diazepan-1-yl)propanenitrile
CID 131217924
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol (CID 18430919) is 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol is OC1(CCN2CCN(Cc3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
The InChIKey is UDWYMAJETAIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c22-19(9-5-2-6-10-19)11-12-20-13-15-21(16-14-20)17-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol?
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol has a molecular weight of 302.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 18430919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).