2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol

C14H22N2O — CID 59343369

IUPAC2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc(N2CCN(C(C)CO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-14(6-4-12)16-9-7-15(8-10-16)13(2)11-17/h3-6,13,17H,7-11H2,1-2H3
InChIKeyKNAQGRGMPCUIQS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol

2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol (PubChem CID 59343369) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
PubChem CID59343369
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc(N2CCN(C(C)CO)CC2)cc1
InChIInChI=1S/C14H22N2O/c1-12-3-5-14(6-4-12)16-9-7-15(8-10-16)13(2)11-17/h3-6,13,17H,7-11H2,1-2H3
InChIKeyKNAQGRGMPCUIQS-UHFFFAOYSA-N
XLogP1.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-(4-methylphenyl)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

3-[4-(4-methylphenyl)piperazin-1-yl]propane-1,2-diol
CID 71329061
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 58861594
2-[4-(6-tert-butylpyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134595600
2-[4-(6-iodopyridazin-3-yl)piperazin-1-yl]propan-1-ol
CID 134406405
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazole
CID 22762529
4-(4-pentan-2-ylpiperazin-1-yl)benzoic acid
CID 66975271
2-[4-(4-methylphenyl)piperazin-1-yl]acetonitrile
CID 82113708
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole
CID 22762559
2-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 89227148
3-[4-(4-chlorophenyl)piperazin-1-yl]butanethioamide
CID 54945091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol (CID 59343369) is 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol is Cc1ccc(N2CCN(C(C)CO)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol?
The InChIKey is KNAQGRGMPCUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-3-5-14(6-4-12)16-9-7-15(8-10-16)13(2)11-17/h3-6,13,17H,7-11H2,1-2H3.
What are the key properties of 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol?
2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 59343369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).