(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine

C20H22Cl2FN — CID 141326883

IUPAC(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@H](c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2FN/c1-13(2)24-11-3-4-17(15-7-10-19(23)18(22)12-15)20(24)14-5-8-16(21)9-6-14/h5-10,12-13,17,20H,3-4,11H2,1-2H3/t17-,20-/m1/s1
InChIKeyCPNNEGXIRXXCSD-YLJYHZDGSA-N
MW366.31 g/mol
LogP6.46
Rot. Bonds3

About (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine

(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine (PubChem CID 141326883) has the molecular formula C20H22Cl2FN and a molecular weight of 366.31 g/mol. Its IUPAC name is (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
PubChem CID141326883
Molecular FormulaC20H22Cl2FN
Molecular Weight366.31 g/mol
Exact Mass365.11
IUPAC Name(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC[C@H](c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2FN/c1-13(2)24-11-3-4-17(15-7-10-19(23)18(22)12-15)20(24)14-5-8-16(21)9-6-14/h5-10,12-13,17,20H,3-4,11H2,1-2H3/t17-,20-/m1/s1
InChIKeyCPNNEGXIRXXCSD-YLJYHZDGSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.31
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 124526744
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
1-tert-butyl-2-(3-chloro-4-fluorophenyl)piperidin-3-amine
CID 81159903
2-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)azepan-3-amine
CID 81159300
2-(3-chloro-4-fluorophenyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 81160397
4-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 81157096
2-chloro-1-fluoro-4-(3-propan-2-ylcyclobutyl)benzene
CID 142422134
4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
5-(3-amino-1-propan-2-ylazepan-2-yl)-2-fluorobenzonitrile
CID 107936990
1-tert-butyl-2-(3-chloro-4-fluorophenyl)azepan-3-amine
CID 81159154
3-(3-chloro-4-fluorophenyl)-2-methylcyclobutan-1-one
CID 81418582

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine?
The IUPAC name of (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine (CID 141326883) is (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine?
The canonical SMILES for (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine is CC(C)N1CCC[C@H](c2ccc(F)c(Cl)c2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine?
The InChIKey is CPNNEGXIRXXCSD-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H22Cl2FN/c1-13(2)24-11-3-4-17(15-7-10-19(23)18(22)12-15)20(24)14-5-8-16(21)9-6-14/h5-10,12-13,17,20H,3-4,11H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine?
(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine has a molecular weight of 366.31 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 141326883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).