2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol

C18H29NO2 — CID 82215800

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)15-6-8-16(9-7-15)18(21)13-19-11-4-3-5-17(19)10-12-20/h6-9,14,17-18,20-21H,3-5,10-13H2,1-2H3
InChIKeyFFFKQMICXVQTLJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds6

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol

2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 82215800) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID82215800
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN2CCCCC2CCO)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)15-6-8-16(9-7-15)18(21)13-19-11-4-3-5-17(19)10-12-20/h6-9,14,17-18,20-21H,3-5,10-13H2,1-2H3
InChIKeyFFFKQMICXVQTLJ-UHFFFAOYSA-N
XLogP3.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-pyridin-3-ylethanol
CID 82216467
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
CID 111103021
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-(2-bromoethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 80671776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol (CID 82215800) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CN2CCCCC2CCO)cc1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is FFFKQMICXVQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)15-6-8-16(9-7-15)18(21)13-19-11-4-3-5-17(19)10-12-20/h6-9,14,17-18,20-21H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 82215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).