4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol

C17H25NO — CID 116505443

IUPAC4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2ccc(C3CCC3)cc2)CCN1C
InChIInChI=1S/C17H25NO/c1-13-12-17(19,10-11-18(13)2)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3
InChIKeyAAEQCYPHWYQQTB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol

4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol (PubChem CID 116505443) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
PubChem CID116505443
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2ccc(C3CCC3)cc2)CCN1C
InChIInChI=1S/C17H25NO/c1-13-12-17(19,10-11-18(13)2)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3
InChIKeyAAEQCYPHWYQQTB-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
CID 116505430
1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
CID 116505410
4-(4-cyclobutylphenyl)-4-hydroxycyclohexan-1-one
CID 116505390
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
2,4-bis(3,4-dichlorophenyl)-1-methylpiperidin-4-ol
CID 173233695
1,2-dimethyl-4-pyrimidin-4-ylpiperidin-4-ol
CID 112709137
3-(4-cyclohexylphenyl)oxetan-3-ol
CID 116872960
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
4-(2-chloro-5-fluorophenyl)-1,2-dimethylpiperidin-4-ol
CID 105393974
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol?
The IUPAC name of 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol (CID 116505443) is 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol is CC1CC(O)(c2ccc(C3CCC3)cc2)CCN1C.
What is the InChIKey of 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol?
The InChIKey is AAEQCYPHWYQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-12-17(19,10-11-18(13)2)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,13-14,19H,3-5,10-12H2,1-2H3.
What are the key properties of 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol?
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol has a molecular weight of 259.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 116505443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).