(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine

C21H27NO — CID 16719672

IUPAC(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
SMILESCOC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-23-17-20(19-12-6-3-7-13-19)21-14-8-9-15-22(21)16-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1
InChIKeyDTTOLVNXCPQXSP-NHCUHLMSSA-N
MW309.45 g/mol
LogP4.47
Rot. Bonds6

About (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine

(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine (PubChem CID 16719672) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
PubChem CID16719672
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
SMILESCOC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H27NO/c1-23-17-20(19-12-6-3-7-13-19)21-14-8-9-15-22(21)16-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1
InChIKeyDTTOLVNXCPQXSP-NHCUHLMSSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The IUPAC name of (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine (CID 16719672) is (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The canonical SMILES for (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine is COC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
The InChIKey is DTTOLVNXCPQXSP-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27NO/c1-23-17-20(19-12-6-3-7-13-19)21-14-8-9-15-22(21)16-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine?
(2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine is sourced from PubChem (CID 16719672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).