4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol

C13H18ClNO — CID 170108590

IUPAC4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2cccc(Cl)c2)CC(C)N1
InChIInChI=1S/C13H18ClNO/c1-9-7-13(16,8-10(2)15-9)11-4-3-5-12(14)6-11/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyHDWPXIYUSOQKTC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.69
Rot. Bonds1

About 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol

4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol (PubChem CID 170108590) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol
PubChem CID170108590
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol
SMILESCC1CC(O)(c2cccc(Cl)c2)CC(C)N1
InChIInChI=1S/C13H18ClNO/c1-9-7-13(16,8-10(2)15-9)11-4-3-5-12(14)6-11/h3-6,9-10,15-16H,7-8H2,1-2H3
InChIKeyHDWPXIYUSOQKTC-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol?
The IUPAC name of 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol (CID 170108590) is 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol?
The canonical SMILES for 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol is CC1CC(O)(c2cccc(Cl)c2)CC(C)N1.
What is the InChIKey of 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol?
The InChIKey is HDWPXIYUSOQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-7-13(16,8-10(2)15-9)11-4-3-5-12(14)6-11/h3-6,9-10,15-16H,7-8H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol?
4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol has a molecular weight of 239.75 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,6-dimethylpiperidin-4-ol is sourced from PubChem (CID 170108590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).