3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol

C16H25NO — CID 174505137

IUPAC3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
SMILESCC(C)c1cccc(C2(O)CCNCC2(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)13-6-5-7-14(10-13)16(18)8-9-17-11-15(16,3)4/h5-7,10,12,17-18H,8-9,11H2,1-4H3
InChIKeyCFAXLEQAQGHZFV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds2

About 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol

3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol (PubChem CID 174505137) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
PubChem CID174505137
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
SMILESCC(C)c1cccc(C2(O)CCNCC2(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)13-6-5-7-14(10-13)16(18)8-9-17-11-15(16,3)4/h5-7,10,12,17-18H,8-9,11H2,1-4H3
InChIKeyCFAXLEQAQGHZFV-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 170997587
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
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CID 82603155
3-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961948
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
3-methyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119943872
3,3-dimethyl-4-(2,3,4-trifluorophenyl)piperidin-4-ol
CID 114235637
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 82395841
1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 83891535

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol (CID 174505137) is 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol is CC(C)c1cccc(C2(O)CCNCC2(C)C)c1.
What is the InChIKey of 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol?
The InChIKey is CFAXLEQAQGHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)13-6-5-7-14(10-13)16(18)8-9-17-11-15(16,3)4/h5-7,10,12,17-18H,8-9,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol?
3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol is sourced from PubChem (CID 174505137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).