1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol

C14H21NO2 — CID 115873747

IUPAC1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-14(17)8-5-9-15(11-14)10-13(16)12-6-3-2-4-7-12/h2-4,6-7,13,16-17H,5,8-11H2,1H3
InChIKeyKKCIWLYAZWCNFG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol

1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol (PubChem CID 115873747) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
PubChem CID115873747
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c1-14(17)8-5-9-15(11-14)10-13(16)12-6-3-2-4-7-12/h2-4,6-7,13,16-17H,5,8-11H2,1H3
InChIKeyKKCIWLYAZWCNFG-UHFFFAOYSA-N
XLogP1.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
CID 116790405
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
CID 166211934
(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol
CID 97326203
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
1-phenyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 110891512

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol (CID 115873747) is 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol is CC1(O)CCCN(CC(O)c2ccccc2)C1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol?
The InChIKey is KKCIWLYAZWCNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(17)8-5-9-15(11-14)10-13(16)12-6-3-2-4-7-12/h2-4,6-7,13,16-17H,5,8-11H2,1H3.
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol?
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).