3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

C18H30N2O — CID 10149456

IUPAC3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(Cc1ccccc1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(21,14-17-8-6-5-7-9-17)16(2)15-20-12-10-19(3)11-13-20/h5-9,16,21H,4,10-15H2,1-3H3
InChIKeyULFZITCANDOXAN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.25
Rot. Bonds6

About 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol

3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (PubChem CID 10149456) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.

Molecular Properties

Compound Name3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
PubChem CID10149456
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
SMILESCCC(O)(Cc1ccccc1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-18(21,14-17-8-6-5-7-9-17)16(2)15-20-12-10-19(3)11-13-20/h5-9,16,21H,4,10-15H2,1-3H3
InChIKeyULFZITCANDOXAN-UHFFFAOYSA-N
XLogP2.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
1-(2-benzylbutyl)-4-methylpiperazine;ethane
CID 90910266
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
(3S)-2-benzyl-4-methyl-1-phenyl-3-piperidin-1-ylpentan-2-ol
CID 101102702
1,4-dimethylpiperazine;ethane;ethylbenzene
CID 90922002
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
2-benzyl-2-(4-methylpiperazin-1-yl)butanenitrile
CID 79007580
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]aniline
CID 115039830
2-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzoic acid
CID 67612586
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
1-benzyl-4-methylpiperazine;formic acid
CID 54605116

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The IUPAC name of 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol (CID 10149456) is 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol.
What is the SMILES notation for 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The canonical SMILES for 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is CCC(O)(Cc1ccccc1)C(C)CN1CCN(C)CC1.
What is the InChIKey of 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
The InChIKey is ULFZITCANDOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(21,14-17-8-6-5-7-9-17)16(2)15-20-12-10-19(3)11-13-20/h5-9,16,21H,4,10-15H2,1-3H3.
What are the key properties of 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol?
3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol has a molecular weight of 290.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol is sourced from PubChem (CID 10149456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).