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

C21H25Cl2NO — CID 2894559

IUPAC2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol
SMILESCCC1(O)C(C)C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C21H25Cl2NO/c1-4-21(25)13(2)19(15-5-9-17(22)10-6-15)24-20(14(21)3)16-7-11-18(23)12-8-16/h5-14,19-20,24-25H,4H2,1-3H3
InChIKeyLRKCWFYHHUSIOT-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.79
Rot. Bonds3

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

2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol (PubChem CID 2894559) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol
PubChem CID2894559
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol
SMILESCCC1(O)C(C)C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1C
InChIInChI=1S/C21H25Cl2NO/c1-4-21(25)13(2)19(15-5-9-17(22)10-6-15)24-20(14(21)3)16-7-11-18(23)12-8-16/h5-14,19-20,24-25H,4H2,1-3H3
InChIKeyLRKCWFYHHUSIOT-UHFFFAOYSA-N
XLogP5.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.79
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)-4-ethyl-3,5-dimethylpiperidin-4-ol?
The IUPAC name of 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol (CID 2894559) is 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol is CCC1(O)C(C)C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1C.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol?
The InChIKey is LRKCWFYHHUSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-4-21(25)13(2)19(15-5-9-17(22)10-6-15)24-20(14(21)3)16-7-11-18(23)12-8-16/h5-14,19-20,24-25H,4H2,1-3H3.
What are the key properties of 2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol?
2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol has a molecular weight of 378.34 g/mol, XLogP of 5.79, 3 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)-4-ethyl-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 2894559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).