1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol

C15H22ClNO — CID 117019068

IUPAC1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
SMILESCc1cc(C)c(N2CCCC(O)C2(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-10-8-11(2)14(12(16)9-10)17-7-5-6-13(18)15(17,3)4/h8-9,13,18H,5-7H2,1-4H3
InChIKeyHGVDIZKNEHYEDF-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.70
Rot. Bonds1

About 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol

1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol (PubChem CID 117019068) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
PubChem CID117019068
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
SMILESCc1cc(C)c(N2CCCC(O)C2(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-10-8-11(2)14(12(16)9-10)17-7-5-6-13(18)15(17,3)4/h8-9,13,18H,5-7H2,1-4H3
InChIKeyHGVDIZKNEHYEDF-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-N,2,2-trimethylpyrrolidin-3-amine
CID 117017121
1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
1-(5-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019064
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
CID 117026004
2-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]ethanol
CID 117017428
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023277
1-(2,6-dichloro-4-methylphenyl)pyrrolidine
CID 118374334
1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117017829
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016879
1-(3,5-dimethylphenyl)-2,2-dimethylpiperidine-3-carboxylic acid
CID 117019445

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol (CID 117019068) is 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol is Cc1cc(C)c(N2CCCC(O)C2(C)C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol?
The InChIKey is HGVDIZKNEHYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-8-11(2)14(12(16)9-10)17-7-5-6-13(18)15(17,3)4/h8-9,13,18H,5-7H2,1-4H3.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol?
1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol has a molecular weight of 267.80 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 117019068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).