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'}

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Related Compounds

4-[2-Hydroxy-3-(4-phenyl-piperidin-1-yl)-propyl]-phenol
CID 15048615
4-[3-(4-Benzylpiperidin-1-yl)-2-hydroxypropyl]phenol
CID 44309367
4-(2-Morpholin-4-ylethyl)-2,6-di(propan-2-yl)phenol
CID 44384462
2-[(1R)-3-[1-hydroxypropan-2-yl(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
CID 118753277
4-[1-Hydroxy-2-(4-methylpiperidin-1-yl)propyl]phenol
CID 211489
4-[3-(2,6-Dimethylmorpholin-4-yl)-2-methylpropyl]phenol
CID 14553930
4-Isopropenyl-2-morpholinomethylphenol
CID 129844262
4-(3-Morpholin-4-ylpropyl)-2-(trifluoromethyl)phenol
CID 170869662
2-[[Bis(2-hydroxyethyl)amino]methyl]-4-butan-2-ylphenol
CID 268821
2-{[Bis(2-hydroxyethyl)amino]methyl}-4-methylphenol
CID 15001105
4-[1-Hydroxy-2-(3-methylpiperidin-1-yl)ethyl]phenol
CID 11622787
4-Methyl-2-(3-morpholin-4-yl-1-phenyl-propyl)-phenol
CID 12043587

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).