1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine

C16H23NO — CID 102449955

IUPAC1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO/c1-3-6-15-7-4-5-12-17(15)13-14-8-10-16(18-2)11-9-14/h3,6,8-11,15H,4-5,7,12-13H2,1-2H3/b6-3+
InChIKeySESPMFIBHUDOGQ-ZZXKWVIFSA-N
MW245.37 g/mol
LogP3.63
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine

1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine (PubChem CID 102449955) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
PubChem CID102449955
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCCN1Cc1ccc(OC)cc1
InChIInChI=1S/C16H23NO/c1-3-6-15-7-4-5-12-17(15)13-14-8-10-16(18-2)11-9-14/h3,6,8-11,15H,4-5,7,12-13H2,1-2H3/b6-3+
InChIKeySESPMFIBHUDOGQ-ZZXKWVIFSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
CID 102449960
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
CID 102408699
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
(1S)-2-[(4-methoxyphenyl)methyl]-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline
CID 102483415
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]ethyl]propan-1-amine
CID 63853661
1-[(4-methoxyphenyl)methyl]-7-methyl-2,3,4,7-tetrahydroazepine
CID 102449959
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine (CID 102449955) is 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine is C/C=C/C1CCCCN1Cc1ccc(OC)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine?
The InChIKey is SESPMFIBHUDOGQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-15-7-4-5-12-17(15)13-14-8-10-16(18-2)11-9-14/h3,6,8-11,15H,4-5,7,12-13H2,1-2H3/b6-3+.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine?
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 102449955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).