5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol

C17H28N2O — CID 139898949

IUPAC5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,20)9-6-10-18-11-13-19(14-12-18)15-16-7-4-3-5-8-16/h3-5,7-8,20H,6,9-15H2,1-2H3
InChIKeyGLBQNZSWINZVCF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds6

About 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol

5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol (PubChem CID 139898949) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
PubChem CID139898949
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
SMILESCC(C)(O)CCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,20)9-6-10-18-11-13-19(14-12-18)15-16-7-4-3-5-8-16/h3-5,7-8,20H,6,9-15H2,1-2H3
InChIKeyGLBQNZSWINZVCF-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzyl-4-tert-butylpiperazine
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1-benzyl-4-(3-methylsulfonylpropyl)piperazine
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1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
CID 90692795
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
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CID 39984129

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol (CID 139898949) is 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol is CC(C)(O)CCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol?
The InChIKey is GLBQNZSWINZVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,20)9-6-10-18-11-13-19(14-12-18)15-16-7-4-3-5-8-16/h3-5,7-8,20H,6,9-15H2,1-2H3.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol?
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 139898949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).