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

C24H24Cl2N2O — CID 164610393

IUPAC3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
SMILESClc1cc(Cl)cc(CO[C@H]2CCCN(Cc3cccnc3)C2c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O/c25-21-12-19(13-22(26)14-21)17-29-23-9-5-11-28(16-18-6-4-10-27-15-18)24(23)20-7-2-1-3-8-20/h1-4,6-8,10,12-15,23-24H,5,9,11,16-17H2/t23-,24?/m0/s1
InChIKeyWMDFMUSXOUJASR-UXMRNZNESA-N
MW427.38 g/mol
LogP6.31
Rot. Bonds6

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

3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine (PubChem CID 164610393) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
PubChem CID164610393
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
SMILESClc1cc(Cl)cc(CO[C@H]2CCCN(Cc3cccnc3)C2c2ccccc2)c1
InChIInChI=1S/C24H24Cl2N2O/c25-21-12-19(13-22(26)14-21)17-29-23-9-5-11-28(16-18-6-4-10-27-15-18)24(23)20-7-2-1-3-8-20/h1-4,6-8,10,12-15,23-24H,5,9,11,16-17H2/t23-,24?/m0/s1
InChIKeyWMDFMUSXOUJASR-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 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine (CID 164610393) is 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine is Clc1cc(Cl)cc(CO[C@H]2CCCN(Cc3cccnc3)C2c2ccccc2)c1.
What is the InChIKey of 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
The InChIKey is WMDFMUSXOUJASR-UXMRNZNESA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c25-21-12-19(13-22(26)14-21)17-29-23-9-5-11-28(16-18-6-4-10-27-15-18)24(23)20-7-2-1-3-8-20/h1-4,6-8,10,12-15,23-24H,5,9,11,16-17H2/t23-,24?/m0/s1.
What are the key properties of 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine?
3-[[(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 3-[[(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 164610393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).