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

C21H25Cl2NO — CID 2065827

IUPAC(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
SMILESCCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C
InChIInChI=1S/C21H25Cl2NO/c1-3-12-21(25)13-19(15-4-8-17(22)9-5-15)24-20(14(21)2)16-6-10-18(23)11-7-16/h4-11,14,19-20,24-25H,3,12-13H2,1-2H3/t14-,19-,20+,21+/m1/s1
InChIKeyJNMBOTCAWAEZQM-PLBGURBNSA-N
MW378.34 g/mol
LogP5.94
Rot. Bonds4

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

(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol (PubChem CID 2065827) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
PubChem CID2065827
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC Name(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol
SMILESCCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C
InChIInChI=1S/C21H25Cl2NO/c1-3-12-21(25)13-19(15-4-8-17(22)9-5-15)24-20(14(21)2)16-6-10-18(23)11-7-16/h4-11,14,19-20,24-25H,3,12-13H2,1-2H3/t14-,19-,20+,21+/m1/s1
InChIKeyJNMBOTCAWAEZQM-PLBGURBNSA-N
XLogP5.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S,3S,4S,6R)-4-butyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 11903564
4-butyl-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-ol;hydrochloride
CID 2854780
(2R,3S,4R,6R)-3-ethyl-2,6-diphenyl-4-propylpiperidin-4-ol
CID 1230070
2,6-bis(4-chlorophenyl)-4-ethyl-3,5-dimethylpiperidin-4-ol
CID 2894559
(2R,3R,4S,6S)-4-[(2-chlorophenyl)methyl]-3-methyl-2,6-diphenylpiperidin-4-ol
CID 1333836
(2R,3R,4R,6R)-4-benzyl-3-methyl-2,6-diphenylpiperidin-4-ol
CID 124714824
(2S,3R,4R,5R,6R)-2,6-bis(4-chlorophenyl)-3,4-dimethyl-5-propylpiperidin-4-ol
CID 100875032
2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ol
CID 4518766
(NE)-N-[(2S,3R,6S)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 7407907
(NE)-N-[(2R,3S,6R)-2,6-bis(4-chlorophenyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 6341275
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol?
The IUPAC name of (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol (CID 2065827) is (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol.
What is the SMILES notation for (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol?
The canonical SMILES for (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol is CCC[C@]1(O)C[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C.
What is the InChIKey of (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol?
The InChIKey is JNMBOTCAWAEZQM-PLBGURBNSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-3-12-21(25)13-19(15-4-8-17(22)9-5-15)24-20(14(21)2)16-6-10-18(23)11-7-16/h4-11,14,19-20,24-25H,3,12-13H2,1-2H3/t14-,19-,20+,21+/m1/s1.
What are the key properties of (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol?
(2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol has a molecular weight of 378.34 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-2,6-bis(4-chlorophenyl)-3-methyl-4-propylpiperidin-4-ol is sourced from PubChem (CID 2065827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).