2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol

C17H28N2O — CID 175551681

IUPAC2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)17(14-20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3
InChIKeyUBLVMRXUOKAZDT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.07
Rot. Bonds6

About 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol

2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol (PubChem CID 175551681) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol
PubChem CID175551681
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)17(14-20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3
InChIKeyUBLVMRXUOKAZDT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
1-(4-benzylpiperazin-1-yl)-3-methylbutan-2-amine
CID 43199540
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
(2R)-2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxypropanoic acid
CID 175551667
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-(4-benzylpiperazin-1-yl)-3-bromopropan-2-ol
CID 112561170
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol (CID 175551681) is 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol?
The InChIKey is UBLVMRXUOKAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)17(14-20)13-19-10-8-18(9-11-19)12-16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3.
What are the key properties of 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol?
2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperazin-1-yl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 175551681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).