1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol

C14H21NO2 — CID 143566862

IUPAC1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1ccc(C)c(N2CCC(O)(CO)CC2)c1
InChIInChI=1S/C14H21NO2/c1-11-3-4-12(2)13(9-11)15-7-5-14(17,10-16)6-8-15/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyRYRWPYSVMSIMCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol

1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 143566862) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
PubChem CID143566862
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1ccc(C)c(N2CCC(O)(CO)CC2)c1
InChIInChI=1S/C14H21NO2/c1-11-3-4-12(2)13(9-11)15-7-5-14(17,10-16)6-8-15/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyRYRWPYSVMSIMCL-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)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-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
CID 117011771
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
2-[1-(2,5-dimethylphenyl)piperidin-4-yl]ethanol
CID 117003508
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536
2-[3-(2,5-dimethylphenyl)-3-azaspiro[5.5]undecan-9-yl]acetaldehyde
CID 139379237
2-[1-(2,5-dimethylphenyl)piperidin-4-ylidene]acetic acid
CID 82294751
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
1-(2,5-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7441235
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetonitrile
CID 82115548

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol (CID 143566862) is 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol is Cc1ccc(C)c(N2CCC(O)(CO)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is RYRWPYSVMSIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-4-12(2)13(9-11)15-7-5-14(17,10-16)6-8-15/h3-4,9,16-17H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol?
1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 235.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 143566862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).