(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine

C22H29NO — CID 135007750

IUPAC(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine
SMILESCC[C@@H]1CCCN([C@@H](COC)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H29NO/c1-3-18-15-10-16-23(22(18)20-13-8-5-9-14-20)21(17-24-2)19-11-6-4-7-12-19/h4-9,11-14,18,21-22H,3,10,15-17H2,1-2H3/t18-,21+,22-/m1/s1
InChIKeyYFXJSFHIEBQLOQ-BVYCBKJFSA-N
MW323.48 g/mol
LogP5.24
Rot. Bonds6

About (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine

(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine (PubChem CID 135007750) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine
PubChem CID135007750
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine
SMILESCC[C@@H]1CCCN([C@@H](COC)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H29NO/c1-3-18-15-10-16-23(22(18)20-13-8-5-9-14-20)21(17-24-2)19-11-6-4-7-12-19/h4-9,11-14,18,21-22H,3,10,15-17H2,1-2H3/t18-,21+,22-/m1/s1
InChIKeyYFXJSFHIEBQLOQ-BVYCBKJFSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine?
The IUPAC name of (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine (CID 135007750) is (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine.
What is the SMILES notation for (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine?
The canonical SMILES for (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine is CC[C@@H]1CCCN([C@@H](COC)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine?
The InChIKey is YFXJSFHIEBQLOQ-BVYCBKJFSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-18-15-10-16-23(22(18)20-13-8-5-9-14-20)21(17-24-2)19-11-6-4-7-12-19/h4-9,11-14,18,21-22H,3,10,15-17H2,1-2H3/t18-,21+,22-/m1/s1.
What are the key properties of (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine?
(2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine has a molecular weight of 323.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-1-[(1R)-2-methoxy-1-phenylethyl]-2-phenylpiperidine is sourced from PubChem (CID 135007750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).