2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol

C17H28N2O — CID 10125387

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
SMILESCCC(O)(c1ccccc1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h5-9,15,20H,4,10-14H2,1-3H3
InChIKeyUBBFJXATMJCRIV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.17
Rot. Bonds5

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

2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol (PubChem CID 10125387) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
PubChem CID10125387
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
SMILESCCC(O)(c1ccccc1)C(C)CN1CCN(C)CC1
InChIInChI=1S/C17H28N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h5-9,15,20H,4,10-14H2,1-3H3
InChIKeyUBBFJXATMJCRIV-UHFFFAOYSA-N
XLogP2.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10149456
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 10126572
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
CID 10194338
ethane;3-methyl-5-(4-methylpiperazin-1-yl)-3-phenylpentan-2-ol
CID 91212173
1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
CID 70478390
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
CID 43829761
1-(2-benzylbutyl)-4-methylpiperazine;ethane
CID 90910266
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol (CID 10125387) is 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol is CCC(O)(c1ccccc1)C(C)CN1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol?
The InChIKey is UBBFJXATMJCRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(20,16-8-6-5-7-9-16)15(2)14-19-12-10-18(3)11-13-19/h5-9,15,20H,4,10-14H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol?
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol has a molecular weight of 276.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol is sourced from PubChem (CID 10125387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).