1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol

C17H27NO — CID 63586623

IUPAC1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
SMILESCC(C)(C)c1ccc(C(C)(O)C2CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-7-9-14(10-8-13)17(4,19)15-6-5-11-18-12-15/h7-10,15,18-19H,5-6,11-12H2,1-4H3
InChIKeyMGRHEXBTJYDKFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.19
Rot. Bonds2

About 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol

1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol (PubChem CID 63586623) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
PubChem CID63586623
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
SMILESCC(C)(C)c1ccc(C(C)(O)C2CCCNC2)cc1
InChIInChI=1S/C17H27NO/c1-16(2,3)13-7-9-14(10-8-13)17(4,19)15-6-5-11-18-12-15/h7-10,15,18-19H,5-6,11-12H2,1-4H3
InChIKeyMGRHEXBTJYDKFC-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
3-(4-tert-butylphenyl)piperidine
CID 24904200
cyclohexyl-phenyl-piperidin-3-ylmethanol
CID 23966017
1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
CID 63587550
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
2-piperidin-3-ylbutan-2-ol
CID 63586087

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol (CID 63586623) is 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol is CC(C)(C)c1ccc(C(C)(O)C2CCCNC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol?
The InChIKey is MGRHEXBTJYDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,3)13-7-9-14(10-8-13)17(4,19)15-6-5-11-18-12-15/h7-10,15,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol?
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol has a molecular weight of 261.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 63586623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).