4-(3,3-dimethylpiperidin-1-yl)phenol

C13H19NO — CID 11217983

IUPAC4-(3,3-dimethylpiperidin-1-yl)phenol
SMILESCC1(C)CCCN(c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO/c1-13(2)8-3-9-14(10-13)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyLHWQTFMGKPSPDM-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.02
Rot. Bonds1

About 4-(3,3-dimethylpiperidin-1-yl)phenol

4-(3,3-dimethylpiperidin-1-yl)phenol (PubChem CID 11217983) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)phenol
PubChem CID11217983
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)phenol
SMILESCC1(C)CCCN(c2ccc(O)cc2)C1
InChIInChI=1S/C13H19NO/c1-13(2)8-3-9-14(10-13)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyLHWQTFMGKPSPDM-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-4-methylpiperidin-4-ol
CID 115025215
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
1-[4-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-ol
CID 114066889
4-(3,3-dimethylpyrrolidin-1-yl)pyridine
CID 67580177
1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 63136252
1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone
CID 104651765
1-[4-(bromomethyl)phenyl]-4,4-dimethylazepane
CID 107084123
4-[3,5-bis(4-hydroxyphenyl)-1,3,5-triazinan-1-yl]phenol
CID 130393627
1-[3-(chloromethyl)-4-nitrophenyl]-3,3-dimethylpiperidine
CID 114057879
4-(4,4-diethoxypiperidin-1-yl)phenol
CID 69481596
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 115546247

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)phenol?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)phenol (CID 11217983) is 4-(3,3-dimethylpiperidin-1-yl)phenol.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)phenol?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)phenol is CC1(C)CCCN(c2ccc(O)cc2)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)phenol?
The InChIKey is LHWQTFMGKPSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)8-3-9-14(10-13)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)phenol?
4-(3,3-dimethylpiperidin-1-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)phenol is sourced from PubChem (CID 11217983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).