1-(2-benzylprop-2-enyl)piperidine

C15H21N — CID 53360886

IUPAC1-(2-benzylprop-2-enyl)piperidine
SMILESC=C(Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C15H21N/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2,4-5,8-9H,1,3,6-7,10-13H2
InChIKeyLMAJZVDWRJSNQE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-benzylprop-2-enyl)piperidine

1-(2-benzylprop-2-enyl)piperidine (PubChem CID 53360886) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-benzylprop-2-enyl)piperidine.

Molecular Properties

Compound Name1-(2-benzylprop-2-enyl)piperidine
PubChem CID53360886
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(2-benzylprop-2-enyl)piperidine
SMILESC=C(Cc1ccccc1)CN1CCCCC1
InChIInChI=1S/C15H21N/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2,4-5,8-9H,1,3,6-7,10-13H2
InChIKeyLMAJZVDWRJSNQE-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.27
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-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine
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1,2-diphenyl-3-(piperidin-1-ylmethyl)but-3-en-2-ol;hydrochloride
CID 159545866
1-benzylazepane
CID 10954328
1-ethylpiperidine;phenylmethanamine
CID 174819379
CID 162405117
CID 162405117
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
1-(azepan-1-yl)-2-phenylethanethione
CID 19832475
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
2-methylidenebutylbenzene
CID 10964655

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylprop-2-enyl)piperidine?
The IUPAC name of 1-(2-benzylprop-2-enyl)piperidine (CID 53360886) is 1-(2-benzylprop-2-enyl)piperidine.
What is the SMILES notation for 1-(2-benzylprop-2-enyl)piperidine?
The canonical SMILES for 1-(2-benzylprop-2-enyl)piperidine is C=C(Cc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-(2-benzylprop-2-enyl)piperidine?
The InChIKey is LMAJZVDWRJSNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-14(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2,4-5,8-9H,1,3,6-7,10-13H2.
What are the key properties of 1-(2-benzylprop-2-enyl)piperidine?
1-(2-benzylprop-2-enyl)piperidine has a molecular weight of 215.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylprop-2-enyl)piperidine is sourced from PubChem (CID 53360886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).