1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine

C15H21NO — CID 102408699

IUPAC1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
SMILESCO/C=C\C1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-17-12-10-15-9-5-6-11-16(15)13-14-7-3-2-4-8-14/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3/b12-10-
InChIKeyFCXRFOOFRSWSBY-BENRWUELSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds4

About 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine

1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine (PubChem CID 102408699) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine.

Molecular Properties

Compound Name1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
PubChem CID102408699
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
SMILESCO/C=C\C1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-17-12-10-15-9-5-6-11-16(15)13-14-7-3-2-4-8-14/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3/b12-10-
InChIKeyFCXRFOOFRSWSBY-BENRWUELSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084
(2S)-1-benzyl-2-[(E)-3-(2,6-dimethylphenyl)prop-1-enyl]piperidine
CID 100963528
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
CID 102449955
ethyl (E)-3-[(2R)-1-benzylpyrrolidin-2-yl]prop-2-enoate
CID 100980748
1-benzyl-2-[(E)-2-nitroethenyl]pyrrolidine
CID 130137463
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
CID 102449960
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
(2S)-1-benzyl-2-propylpiperidine
CID 71407726

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine?
The IUPAC name of 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine (CID 102408699) is 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine.
What is the SMILES notation for 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine?
The canonical SMILES for 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine is CO/C=C\C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine?
The InChIKey is FCXRFOOFRSWSBY-BENRWUELSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-12-10-15-9-5-6-11-16(15)13-14-7-3-2-4-8-14/h2-4,7-8,10,12,15H,5-6,9,11,13H2,1H3/b12-10-.
What are the key properties of 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine?
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine is sourced from PubChem (CID 102408699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).