(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine

C22H27Cl2NO — CID 58957018

IUPAC(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COC[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27Cl2NO/c1-16(2)14-26-15-17-3-12-22(18-4-6-19(23)7-5-18)25(13-17)21-10-8-20(24)9-11-21/h4-11,16-17,22H,3,12-15H2,1-2H3/t17-,22+/m1/s1
InChIKeyYDWGMMUBSOUYOA-VGSWGCGISA-N
MW392.37 g/mol
LogP6.62
Rot. Bonds6

About (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine

(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine (PubChem CID 58957018) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine.

Molecular Properties

Compound Name(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine
PubChem CID58957018
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine
SMILESCC(C)COC[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27Cl2NO/c1-16(2)14-26-15-17-3-12-22(18-4-6-19(23)7-5-18)25(13-17)21-10-8-20(24)9-11-21/h4-11,16-17,22H,3,12-15H2,1-2H3/t17-,22+/m1/s1
InChIKeyYDWGMMUBSOUYOA-VGSWGCGISA-N
XLogP6.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
The IUPAC name of (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine (CID 58957018) is (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine.
What is the SMILES notation for (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
The canonical SMILES for (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine is CC(C)COC[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
The InChIKey is YDWGMMUBSOUYOA-VGSWGCGISA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-16(2)14-26-15-17-3-12-22(18-4-6-19(23)7-5-18)25(13-17)21-10-8-20(24)9-11-21/h4-11,16-17,22H,3,12-15H2,1-2H3/t17-,22+/m1/s1.
What are the key properties of (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine?
(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine has a molecular weight of 392.37 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine is sourced from PubChem (CID 58957018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).