1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol

C17H25NO — CID 116505257

IUPAC1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
SMILESCC(O)(c1ccc(C2CCC2)cc1)C1CCCNC1
InChIInChI=1S/C17H25NO/c1-17(19,16-6-3-11-18-12-16)15-9-7-14(8-10-15)13-4-2-5-13/h7-10,13,16,18-19H,2-6,11-12H2,1H3
InChIKeyDJCJJBXWSGFEOM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol

1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol (PubChem CID 116505257) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
PubChem CID116505257
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
SMILESCC(O)(c1ccc(C2CCC2)cc1)C1CCCNC1
InChIInChI=1S/C17H25NO/c1-17(19,16-6-3-11-18-12-16)15-9-7-14(8-10-15)13-4-2-5-13/h7-10,13,16,18-19H,2-6,11-12H2,1H3
InChIKeyDJCJJBXWSGFEOM-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
3-(4-tert-butylphenyl)piperidine
CID 24904200
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol (CID 116505257) is 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol is CC(O)(c1ccc(C2CCC2)cc1)C1CCCNC1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol?
The InChIKey is DJCJJBXWSGFEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(19,16-6-3-11-18-12-16)15-9-7-14(8-10-15)13-4-2-5-13/h7-10,13,16,18-19H,2-6,11-12H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol?
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol has a molecular weight of 259.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 116505257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).