(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine

C19H21Cl2NO — CID 164616855

IUPAC(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine
SMILESCN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)C1c1ccccc1
InChIInChI=1S/C19H21Cl2NO/c1-22-9-5-8-18(19(22)15-6-3-2-4-7-15)23-13-14-10-16(20)12-17(21)11-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19?/m0/s1
InChIKeyZQJILAGNJIMZOW-OYKVQYDMSA-N
MW350.29 g/mol
LogP5.35
Rot. Bonds4

About (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine

(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine (PubChem CID 164616855) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine
PubChem CID164616855
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine
SMILESCN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)C1c1ccccc1
InChIInChI=1S/C19H21Cl2NO/c1-22-9-5-8-18(19(22)15-6-3-2-4-7-15)23-13-14-10-16(20)12-17(21)11-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19?/m0/s1
InChIKeyZQJILAGNJIMZOW-OYKVQYDMSA-N
XLogP5.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine?
The IUPAC name of (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine (CID 164616855) is (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine is CN1CCC[C@H](OCc2cc(Cl)cc(Cl)c2)C1c1ccccc1.
What is the InChIKey of (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine?
The InChIKey is ZQJILAGNJIMZOW-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-22-9-5-8-18(19(22)15-6-3-2-4-7-15)23-13-14-10-16(20)12-17(21)11-14/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19?/m0/s1.
What are the key properties of (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine?
(2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine has a molecular weight of 350.29 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[(3,5-dichlorophenyl)methoxy]-1-methyl-2-phenylpiperidine is sourced from PubChem (CID 164616855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).