1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine

C15H21NO — CID 783587

IUPAC1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine
SMILESCOc1ccccc1/C=C/CN1CCCCC1
InChIInChI=1S/C15H21NO/c1-17-15-10-4-3-8-14(15)9-7-13-16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-13H2,1H3/b9-7+
InChIKeyDJQMGZNVMINYJS-VQHVLOKHSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds4

About 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine

1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine (PubChem CID 783587) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine
PubChem CID783587
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine
SMILESCOc1ccccc1/C=C/CN1CCCCC1
InChIInChI=1S/C15H21NO/c1-17-15-10-4-3-8-14(15)9-7-13-16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-13H2,1H3/b9-7+
InChIKeyDJQMGZNVMINYJS-VQHVLOKHSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine (CID 783587) is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine is COc1ccccc1/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine?
The InChIKey is DJQMGZNVMINYJS-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-15-10-4-3-8-14(15)9-7-13-16-11-5-2-6-12-16/h3-4,7-10H,2,5-6,11-13H2,1H3/b9-7+.
What are the key properties of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine?
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 783587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).