1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol

C17H27NO2 — CID 133108528

IUPAC1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESCC(C)(C)c1ccc(C(O)CN2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-6-4-13(5-7-14)16(20)12-18-10-8-15(19)9-11-18/h4-7,15-16,19-20H,8-12H2,1-3H3
InChIKeyAWOCUHHTIIXJKW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.47
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol (PubChem CID 133108528) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
PubChem CID133108528
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol
SMILESCC(C)(C)c1ccc(C(O)CN2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-17(2,3)14-6-4-13(5-7-14)16(20)12-18-10-8-15(19)9-11-18/h4-7,15-16,19-20H,8-12H2,1-3H3
InChIKeyAWOCUHHTIIXJKW-UHFFFAOYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]piperidin-4-ol
CID 82487384
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
CID 59041922
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-[4-(aminomethyl)phenyl]-2-(4-propylpiperidin-1-yl)ethanol
CID 62199977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol (CID 133108528) is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol is CC(C)(C)c1ccc(C(O)CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol?
The InChIKey is AWOCUHHTIIXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)14-6-4-13(5-7-14)16(20)12-18-10-8-15(19)9-11-18/h4-7,15-16,19-20H,8-12H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol?
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidin-4-ol is sourced from PubChem (CID 133108528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).