1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol

C13H18ClNO — CID 117020860

IUPAC1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-13(2)8-7-12(16)9-15(13)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3
InChIKeyQEUHZXJLBOOGBD-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.08
Rot. Bonds1

About 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol

1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol (PubChem CID 117020860) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
PubChem CID117020860
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
SMILESCC1(C)CCC(O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-13(2)8-7-12(16)9-15(13)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3
InChIKeyQEUHZXJLBOOGBD-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020892
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020854
2-[1-(4-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018624
1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020355
(2-chlorophenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115269415
1-(4-chlorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025109
1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117021673
methyl 1-(4-chlorophenyl)-2,2-dimethylpyrrolidine-3-carboxylate
CID 117022975
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
2-(4-chlorophenyl)-5-hydroxy-4,4-dimethyl-1,2-oxazolidin-3-one
CID 134094277
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol?
The IUPAC name of 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol (CID 117020860) is 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol is CC1(C)CCC(O)CN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol?
The InChIKey is QEUHZXJLBOOGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2)8-7-12(16)9-15(13)11-5-3-10(14)4-6-11/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol?
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol has a molecular weight of 239.75 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 117020860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).