[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

C19H31NO2 — CID 97119620

IUPAC[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C19H31NO2/c1-16-6-7-17(2)18(12-16)13-20-10-4-8-19(14-20,15-21)9-5-11-22-3/h6-7,12,21H,4-5,8-11,13-15H2,1-3H3/t19-/m1/s1
InChIKeyZFQAZGSDSULWJB-LJQANCHMSA-N
MW305.46 g/mol
LogP3.30
Rot. Bonds7

About [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (PubChem CID 97119620) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
PubChem CID97119620
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C19H31NO2/c1-16-6-7-17(2)18(12-16)13-20-10-4-8-19(14-20,15-21)9-5-11-22-3/h6-7,12,21H,4-5,8-11,13-15H2,1-3H3/t19-/m1/s1
InChIKeyZFQAZGSDSULWJB-LJQANCHMSA-N
XLogP3.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (CID 97119620) is [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is COCCC[C@]1(CO)CCCN(Cc2cc(C)ccc2C)C1.
What is the InChIKey of [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The InChIKey is ZFQAZGSDSULWJB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31NO2/c1-16-6-7-17(2)18(12-16)13-20-10-4-8-19(14-20,15-21)9-5-11-22-3/h6-7,12,21H,4-5,8-11,13-15H2,1-3H3/t19-/m1/s1.
What are the key properties of [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol has a molecular weight of 305.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97119620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).