(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol

C19H22Cl2NO+ — CID 7310329

IUPAC(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1
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/p+1/t11-,12-,17-,18-/m0/s1
InChIKeyYOCSCRSTBWZYLM-BMEPFDOTSA-O
MW351.30 g/mol
LogP3.99
Rot. Bonds2

About (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol

(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol (PubChem CID 7310329) has the molecular formula C19H22Cl2NO+ and a molecular weight of 351.30 g/mol. Its IUPAC name is (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol
PubChem CID7310329
Molecular FormulaC19H22Cl2NO+
Molecular Weight351.30 g/mol
Exact Mass350.11
IUPAC Name(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1
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/p+1/t11-,12-,17-,18-/m0/s1
InChIKeyYOCSCRSTBWZYLM-BMEPFDOTSA-O
XLogP3.99
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol (CID 7310329) is (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol is C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol?
The InChIKey is YOCSCRSTBWZYLM-BMEPFDOTSA-O. 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/p+1/t11-,12-,17-,18-/m0/s1.
What are the key properties of (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol?
(2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol has a molecular weight of 351.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7310329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).