1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine

C18H25NO — CID 12982688

IUPAC1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CC1(C)COc2ccccc21
InChIInChI=1S/C18H25NO/c1-15(13-19-10-6-3-7-11-19)12-18(2)14-20-17-9-5-4-8-16(17)18/h4-5,8-9H,1,3,6-7,10-14H2,2H3
InChIKeyBVUFWMXTHGPGFV-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.77
Rot. Bonds4

About 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine

1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine (PubChem CID 12982688) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine
PubChem CID12982688
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CC1(C)COc2ccccc21
InChIInChI=1S/C18H25NO/c1-15(13-19-10-6-3-7-11-19)12-18(2)14-20-17-9-5-4-8-16(17)18/h4-5,8-9H,1,3,6-7,10-14H2,2H3
InChIKeyBVUFWMXTHGPGFV-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.77
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

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CID 3012003
Benproperine
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1-[2-[4-(1-Methyl-1-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 1329134
1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine
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(S)-1-Propyl-3-[3-(2,2,2-trifluoro-ethoxy)-phenyl]-piperidine
CID 10380129
1-Methyl-3-(2-(4-(3-methoxyphenyl)butyl)phenoxymethyl)piperidine
CID 10001250
4-Benzyl-1-chroman-3-ylmethyl-piperidine
CID 11152527
1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine
CID 11335419
1-[2-(2-Benzyl-phenoxy)-ethyl]-pyrrolidine
CID 44396235

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine?
The IUPAC name of 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine (CID 12982688) is 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine is C=C(CN1CCCCC1)CC1(C)COc2ccccc21.
What is the InChIKey of 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine?
The InChIKey is BVUFWMXTHGPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(13-19-10-6-3-7-11-19)12-18(2)14-20-17-9-5-4-8-16(17)18/h4-5,8-9H,1,3,6-7,10-14H2,2H3.
What are the key properties of 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine?
1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine has a molecular weight of 271.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine is sourced from PubChem (CID 12982688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).