1-(3-methoxy-2-prop-2-enylphenyl)piperidine

C15H21NO — CID 101476464

IUPAC1-(3-methoxy-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1c(OC)cccc1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-3-8-13-14(9-7-10-15(13)17-2)16-11-5-4-6-12-16/h3,7,9-10H,1,4-6,8,11-12H2,2H3
InChIKeyUSSDPPGMAKFPQS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-methoxy-2-prop-2-enylphenyl)piperidine

1-(3-methoxy-2-prop-2-enylphenyl)piperidine (PubChem CID 101476464) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-methoxy-2-prop-2-enylphenyl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-2-prop-2-enylphenyl)piperidine
PubChem CID101476464
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-methoxy-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1c(OC)cccc1N1CCCCC1
InChIInChI=1S/C15H21NO/c1-3-8-13-14(9-7-10-15(13)17-2)16-11-5-4-6-12-16/h3,7,9-10H,1,4-6,8,11-12H2,2H3
InChIKeyUSSDPPGMAKFPQS-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

[2-(2-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156701
3,3-dimethoxy-5-piperidin-1-yl-4-prop-2-enyl-2-benzofuran-1-one
CID 175602455
1-(3,4-dimethoxy-5-prop-2-enylphenyl)-N-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 119123332
[2-(3-methoxyphenoxy)-6-piperidin-1-ylphenyl]methanamine
CID 118156697
1-methoxy-3-[(1E,3E,5E)-6-(3-methoxy-2-prop-2-enylphenyl)hexa-1,3,5-trienyl]-2-prop-2-enylbenzene
CID 102152712
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
(2-cyclobutyloxy-6-piperidin-1-ylphenyl)methanamine
CID 118156691
3,4-dimethoxy-5-prop-2-enyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 35359192
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-[2-methoxy-4-[1-(3-methoxy-4-piperidin-1-ylphenyl)buta-1,3-dienyl]phenyl]piperidine
CID 21292688
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 113388932
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-prop-2-enylphenyl)piperidine?
The IUPAC name of 1-(3-methoxy-2-prop-2-enylphenyl)piperidine (CID 101476464) is 1-(3-methoxy-2-prop-2-enylphenyl)piperidine.
What is the SMILES notation for 1-(3-methoxy-2-prop-2-enylphenyl)piperidine?
The canonical SMILES for 1-(3-methoxy-2-prop-2-enylphenyl)piperidine is C=CCc1c(OC)cccc1N1CCCCC1.
What is the InChIKey of 1-(3-methoxy-2-prop-2-enylphenyl)piperidine?
The InChIKey is USSDPPGMAKFPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-8-13-14(9-7-10-15(13)17-2)16-11-5-4-6-12-16/h3,7,9-10H,1,4-6,8,11-12H2,2H3.
What are the key properties of 1-(3-methoxy-2-prop-2-enylphenyl)piperidine?
1-(3-methoxy-2-prop-2-enylphenyl)piperidine has a molecular weight of 231.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-prop-2-enylphenyl)piperidine is sourced from PubChem (CID 101476464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).