3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol

C15H24N2O — CID 15572518

IUPAC3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc(C)c(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C15H24N2O/c1-13-4-5-14(2)15(12-13)17-9-7-16(8-10-17)6-3-11-18/h4-5,12,18H,3,6-11H2,1-2H3
InChIKeyHMXJGGUTQZQUTJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.81
Rot. Bonds4

About 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol

3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 15572518) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
PubChem CID15572518
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc(C)c(N2CCN(CCCO)CC2)c1
InChIInChI=1S/C15H24N2O/c1-13-4-5-14(2)15(12-13)17-9-7-16(8-10-17)6-3-11-18/h4-5,12,18H,3,6-11H2,1-2H3
InChIKeyHMXJGGUTQZQUTJ-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetonitrile
CID 82115548
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
CID 143566862
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
CID 1439313
1-(2,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573785
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylbenzoic acid
CID 107223336
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 2845948
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1376197
[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-4-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22512957

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol (CID 15572518) is 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol is Cc1ccc(C)c(N2CCN(CCCO)CC2)c1.
What is the InChIKey of 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is HMXJGGUTQZQUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-4-5-14(2)15(12-13)17-9-7-16(8-10-17)6-3-11-18/h4-5,12,18H,3,6-11H2,1-2H3.
What are the key properties of 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol?
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 15572518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).