2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol

C19H21Cl2NO — CID 2879590

IUPAC2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol
SMILESCC1C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C(C)C1O
InChIInChI=1S/C19H21Cl2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-19,22-23H,1-2H3
InChIKeyYOCSCRSTBWZYLM-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.01
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol

2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol (PubChem CID 2879590) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol
PubChem CID2879590
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol
SMILESCC1C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C(C)C1O
InChIInChI=1S/C19H21Cl2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-19,22-23H,1-2H3
InChIKeyYOCSCRSTBWZYLM-UHFFFAOYSA-N
XLogP5.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol?
The IUPAC name of 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol (CID 2879590) is 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol is CC1C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C(C)C1O.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol?
The InChIKey is YOCSCRSTBWZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-19,22-23H,1-2H3.
What are the key properties of 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol?
2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol has a molecular weight of 350.29 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 2879590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).