2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol

C15H24NO2P — CID 145338512

IUPAC2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol
SMILESCc1ccc(OP)c(CC2CCN(CCO)CC2)c1
InChIInChI=1S/C15H24NO2P/c1-12-2-3-15(18-19)14(10-12)11-13-4-6-16(7-5-13)8-9-17/h2-3,10,13,17H,4-9,11,19H2,1H3
InChIKeyVEGXTOHSNRCUCY-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol

2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol (PubChem CID 145338512) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol
PubChem CID145338512
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC Name2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol
SMILESCc1ccc(OP)c(CC2CCN(CCO)CC2)c1
InChIInChI=1S/C15H24NO2P/c1-12-2-3-15(18-19)14(10-12)11-13-4-6-16(7-5-13)8-9-17/h2-3,10,13,17H,4-9,11,19H2,1H3
InChIKeyVEGXTOHSNRCUCY-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol 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 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol (CID 145338512) is 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol is Cc1ccc(OP)c(CC2CCN(CCO)CC2)c1.
What is the InChIKey of 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol?
The InChIKey is VEGXTOHSNRCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-12-2-3-15(18-19)14(10-12)11-13-4-6-16(7-5-13)8-9-17/h2-3,10,13,17H,4-9,11,19H2,1H3.
What are the key properties of 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol?
2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol has a molecular weight of 281.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2-phosphanyloxyphenyl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 145338512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).