(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine

C17H17Cl3N2 — CID 58956932

IUPAC(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
SMILESN[C@@H]1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H17Cl3N2/c18-12-3-1-11(2-4-12)17-10-14(21)7-8-22(17)16-6-5-13(19)9-15(16)20/h1-6,9,14,17H,7-8,10,21H2/t14-,17+/m1/s1
InChIKeyWCYMXLNQHTVASX-PBHICJAKSA-N
MW355.70 g/mol
LogP5.32
Rot. Bonds2

About (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine

(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine (PubChem CID 58956932) has the molecular formula C17H17Cl3N2 and a molecular weight of 355.70 g/mol. Its IUPAC name is (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
PubChem CID58956932
Molecular FormulaC17H17Cl3N2
Molecular Weight355.70 g/mol
Exact Mass354.05
IUPAC Name(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
SMILESN[C@@H]1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H17Cl3N2/c18-12-3-1-11(2-4-12)17-10-14(21)7-8-22(17)16-6-5-13(19)9-15(16)20/h1-6,9,14,17H,7-8,10,21H2/t14-,17+/m1/s1
InChIKeyWCYMXLNQHTVASX-PBHICJAKSA-N
XLogP5.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.70
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The IUPAC name of (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine (CID 58956932) is (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The canonical SMILES for (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine is N[C@@H]1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
The InChIKey is WCYMXLNQHTVASX-PBHICJAKSA-N. The full InChI is InChI=1S/C17H17Cl3N2/c18-12-3-1-11(2-4-12)17-10-14(21)7-8-22(17)16-6-5-13(19)9-15(16)20/h1-6,9,14,17H,7-8,10,21H2/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine?
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine has a molecular weight of 355.70 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine is sourced from PubChem (CID 58956932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).