1-benzyl-3-prop-1-en-2-ylpiperidine

C15H21N — CID 174380345

IUPAC1-benzyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N/c1-13(2)15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3
InChIKeyKVELHZIXLZHQJG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.47
Rot. Bonds3

About 1-benzyl-3-prop-1-en-2-ylpiperidine

1-benzyl-3-prop-1-en-2-ylpiperidine (PubChem CID 174380345) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-benzyl-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-benzyl-3-prop-1-en-2-ylpiperidine
PubChem CID174380345
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-benzyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H21N/c1-13(2)15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3
InChIKeyKVELHZIXLZHQJG-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzylpiperidine-3-carbonyl chloride
CID 22006205
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-benzylazepan-3-ol
CID 124585423
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-benzyl-3-prop-1-en-2-ylpiperidine (CID 174380345) is 1-benzyl-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-benzyl-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-benzyl-3-prop-1-en-2-ylpiperidine is C=C(C)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-prop-1-en-2-ylpiperidine?
The InChIKey is KVELHZIXLZHQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-13(2)15-9-6-10-16(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,1,6,9-12H2,2H3.
What are the key properties of 1-benzyl-3-prop-1-en-2-ylpiperidine?
1-benzyl-3-prop-1-en-2-ylpiperidine has a molecular weight of 215.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 174380345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).