4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol

C17H27N3O — CID 62221487

IUPAC4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
SMILESCc1cccc(N2CCN(CC3(O)CCNCC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-15-3-2-4-16(13-15)20-11-9-19(10-12-20)14-17(21)5-7-18-8-6-17/h2-4,13,18,21H,5-12,14H2,1H3
InChIKeyKFOQFJSYCDRHNE-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.23
Rot. Bonds3

About 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol

4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol (PubChem CID 62221487) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
PubChem CID62221487
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol
SMILESCc1cccc(N2CCN(CC3(O)CCNCC3)CC2)c1
InChIInChI=1S/C17H27N3O/c1-15-3-2-4-16(13-15)20-11-9-19(10-12-20)14-17(21)5-7-18-8-6-17/h2-4,13,18,21H,5-12,14H2,1H3
InChIKeyKFOQFJSYCDRHNE-UHFFFAOYSA-N
XLogP1.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-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

1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
CID 63142322
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
1-[6-(hydroxymethyl)-4-[[4-hydroxy-1-(3-methylphenyl)piperidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 132765532
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
1-(1,4-diazepan-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119417381
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol (CID 62221487) is 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol is Cc1cccc(N2CCN(CC3(O)CCNCC3)CC2)c1.
What is the InChIKey of 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol?
The InChIKey is KFOQFJSYCDRHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-15-3-2-4-16(13-15)20-11-9-19(10-12-20)14-17(21)5-7-18-8-6-17/h2-4,13,18,21H,5-12,14H2,1H3.
What are the key properties of 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol?
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol has a molecular weight of 289.42 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 62221487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).