(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine

C21H25NO — CID 146165906

IUPAC(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine
SMILESC=C[C@H](c1ccccc1)[C@H]1CCCN(OCc2ccccc2)C1
InChIInChI=1S/C21H25NO/c1-2-21(19-12-7-4-8-13-19)20-14-9-15-22(16-20)23-17-18-10-5-3-6-11-18/h2-8,10-13,20-21H,1,9,14-17H2/t20-,21+/m0/s1
InChIKeyFAMRHOANDBXDHT-LEWJYISDSA-N
MW307.44 g/mol
LogP4.80
Rot. Bonds6

About (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine

(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine (PubChem CID 146165906) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine.

Molecular Properties

Compound Name(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine
PubChem CID146165906
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine
SMILESC=C[C@H](c1ccccc1)[C@H]1CCCN(OCc2ccccc2)C1
InChIInChI=1S/C21H25NO/c1-2-21(19-12-7-4-8-13-19)20-14-9-15-22(16-20)23-17-18-10-5-3-6-11-18/h2-8,10-13,20-21H,1,9,14-17H2/t20-,21+/m0/s1
InChIKeyFAMRHOANDBXDHT-LEWJYISDSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine?
The IUPAC name of (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine (CID 146165906) is (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine.
What is the SMILES notation for (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine?
The canonical SMILES for (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine is C=C[C@H](c1ccccc1)[C@H]1CCCN(OCc2ccccc2)C1.
What is the InChIKey of (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine?
The InChIKey is FAMRHOANDBXDHT-LEWJYISDSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-21(19-12-7-4-8-13-19)20-14-9-15-22(16-20)23-17-18-10-5-3-6-11-18/h2-8,10-13,20-21H,1,9,14-17H2/t20-,21+/m0/s1.
What are the key properties of (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine?
(3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine has a molecular weight of 307.44 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenylmethoxy-3-[(1S)-1-phenylprop-2-enyl]piperidine is sourced from PubChem (CID 146165906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).