3-benzyl-3-prop-2-enylpiperidine

C15H21N — CID 123751014

IUPAC3-benzyl-3-prop-2-enylpiperidine
SMILESC=CCC1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C15H21N/c1-2-9-15(10-6-11-16-13-15)12-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2
InChIKeyLGJGLJPLWWHUAF-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.17
Rot. Bonds4

About 3-benzyl-3-prop-2-enylpiperidine

3-benzyl-3-prop-2-enylpiperidine (PubChem CID 123751014) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-benzyl-3-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-benzyl-3-prop-2-enylpiperidine
PubChem CID123751014
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-benzyl-3-prop-2-enylpiperidine
SMILESC=CCC1(Cc2ccccc2)CCCNC1
InChIInChI=1S/C15H21N/c1-2-9-15(10-6-11-16-13-15)12-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2
InChIKeyLGJGLJPLWWHUAF-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-3-(fluoromethyl)piperidine
CID 84779719
(3S)-3-prop-2-enyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 89317969
(3-benzylpyrrolidin-3-yl)methanamine
CID 142188778
[3-(2-phenylethyl)piperidin-3-yl]methanol;hydrochloride
CID 154924786
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
CID 68829570
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
3-benzyl-3-methylpyrrolidine
CID 58254769
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-prop-2-enylpiperidine?
The IUPAC name of 3-benzyl-3-prop-2-enylpiperidine (CID 123751014) is 3-benzyl-3-prop-2-enylpiperidine.
What is the SMILES notation for 3-benzyl-3-prop-2-enylpiperidine?
The canonical SMILES for 3-benzyl-3-prop-2-enylpiperidine is C=CCC1(Cc2ccccc2)CCCNC1.
What is the InChIKey of 3-benzyl-3-prop-2-enylpiperidine?
The InChIKey is LGJGLJPLWWHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-9-15(10-6-11-16-13-15)12-14-7-4-3-5-8-14/h2-5,7-8,16H,1,6,9-13H2.
What are the key properties of 3-benzyl-3-prop-2-enylpiperidine?
3-benzyl-3-prop-2-enylpiperidine has a molecular weight of 215.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-prop-2-enylpiperidine is sourced from PubChem (CID 123751014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).