(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol

C22H27Cl2NO — CID 100875032

IUPAC(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C22H27Cl2NO/c1-4-5-19-21(16-8-12-18(24)13-9-16)25-20(14(2)22(19,3)26)15-6-10-17(23)11-7-15/h6-14,19-21,25-26H,4-5H2,1-3H3/t14-,19-,20+,21+,22-/m1/s1
InChIKeyLIBIPIXHWFBTLG-IOWAXREISA-N
MW392.37 g/mol
LogP6.18
Rot. Bonds4

About (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol

(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol (PubChem CID 100875032) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
PubChem CID100875032
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
SMILESCCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O
InChIInChI=1S/C22H27Cl2NO/c1-4-5-19-21(16-8-12-18(24)13-9-16)25-20(14(2)22(19,3)26)15-6-10-17(23)11-7-15/h6-14,19-21,25-26H,4-5H2,1-3H3/t14-,19-,20+,21+,22-/m1/s1
InChIKeyLIBIPIXHWFBTLG-IOWAXREISA-N
XLogP6.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
CID 2879638
2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol
CID 2894559
(2R,3R,4S,5R,6S)-3-methyl-2,6-diphenyl-4,5-dipropylpiperidin-4-ol
CID 6555448
(2R,3R,4S,5S,6S)-4-butyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11887995
(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
CID 2065827
(2R,3S,4R,5S,6S)-4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-4-ol
CID 11891407
(NE)-N-[(2R,3R,5S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-5-propylpiperidin-4-ylidene]hydroxylamine
CID 124579698
(NE)-N-[(2S,3S,5R,6R)-2,6-bis(4-chlorophenyl)-3-methyl-5-propylpiperidin-4-ylidene]hydroxylamine
CID 7243105
(2S,3S,5S,6S)-3,5-dimethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 11877897
(2R,3R,5S,6S)-4-butyl-2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin-1-ium-4-ol
CID 6562589
2,6-bis[4-(dimethylamino)phenyl]-4-ethyl-3,5-dimethylpiperidin-4-ol
CID 3148801
3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
CID 66229594

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol (CID 100875032) is (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol is CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(C)O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol?
The InChIKey is LIBIPIXHWFBTLG-IOWAXREISA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-4-5-19-21(16-8-12-18(24)13-9-16)25-20(14(2)22(19,3)26)15-6-10-17(23)11-7-15/h6-14,19-21,25-26H,4-5H2,1-3H3/t14-,19-,20+,21+,22-/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol?
(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol has a molecular weight of 392.37 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol is sourced from PubChem (CID 100875032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).