2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine

C24H24Cl2N2O — CID 164616200

IUPAC2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
SMILESClc1cc(Cl)cc(CO[C@H]2CCCN(Cc3ccccn3)C2c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-13-18(14-21(26)15-20)17-29-23-10-6-12-28(16-22-9-4-5-11-27-22)24(23)19-7-2-1-3-8-19/h1-5,7-9,11,13-15,23-24H,6,10,12,16-17H2/t23-,24?/m0/s1
InChIKeyOSXBYAJUJJFPCJ-UXMRNZNESA-N
MW427.38 g/mol
LogP6.31
Rot. Bonds6

About 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine

2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine (PubChem CID 164616200) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
PubChem CID164616200
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
SMILESClc1cc(Cl)cc(CO[C@H]2CCCN(Cc3ccccn3)C2c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O/c25-20-13-18(14-21(26)15-20)17-29-23-10-6-12-28(16-22-9-4-5-11-27-22)24(23)19-7-2-1-3-8-19/h1-5,7-9,11,13-15,23-24H,6,10,12,16-17H2/t23-,24?/m0/s1
InChIKeyOSXBYAJUJJFPCJ-UXMRNZNESA-N
XLogP6.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine (CID 164616200) is 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine is Clc1cc(Cl)cc(CO[C@H]2CCCN(Cc3ccccn3)C2c2ccccc2)c1.
What is the InChIKey of 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The InChIKey is OSXBYAJUJJFPCJ-UXMRNZNESA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-20-13-18(14-21(26)15-20)17-29-23-10-6-12-28(16-22-9-4-5-11-27-22)24(23)19-7-2-1-3-8-19/h1-5,7-9,11,13-15,23-24H,6,10,12,16-17H2/t23-,24?/m0/s1.
What are the key properties of 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine has a molecular weight of 427.38 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 164616200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).