3-(3-phenylprop-2-enoxymethyl)piperidine

C15H21NO — CID 76940377

IUPAC3-(3-phenylprop-2-enoxymethyl)piperidine
SMILESC(=Cc1ccccc1)COCC1CCCNC1
InChIInChI=1S/C15H21NO/c1-2-6-14(7-3-1)9-5-11-17-13-15-8-4-10-16-12-15/h1-3,5-7,9,15-16H,4,8,10-13H2
InChIKeyVMRZAYWTUXEMNA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds5

About 3-(3-phenylprop-2-enoxymethyl)piperidine

3-(3-phenylprop-2-enoxymethyl)piperidine (PubChem CID 76940377) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name3-(3-phenylprop-2-enoxymethyl)piperidine
PubChem CID76940377
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(3-phenylprop-2-enoxymethyl)piperidine
SMILESC(=Cc1ccccc1)COCC1CCCNC1
InChIInChI=1S/C15H21NO/c1-2-6-14(7-3-1)9-5-11-17-13-15-8-4-10-16-12-15/h1-3,5-7,9,15-16H,4,8,10-13H2
InChIKeyVMRZAYWTUXEMNA-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-2-enyl)piperidine
CID 141263506
3-(but-2-enoxymethyl)piperidine
CID 76940393
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
piperidin-3-ylmethyl benzoate
CID 53409803
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
6-(3-phenylprop-2-enoxymethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 70024601
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enoxymethyl)piperidine?
The IUPAC name of 3-(3-phenylprop-2-enoxymethyl)piperidine (CID 76940377) is 3-(3-phenylprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 3-(3-phenylprop-2-enoxymethyl)piperidine?
The canonical SMILES for 3-(3-phenylprop-2-enoxymethyl)piperidine is C(=Cc1ccccc1)COCC1CCCNC1.
What is the InChIKey of 3-(3-phenylprop-2-enoxymethyl)piperidine?
The InChIKey is VMRZAYWTUXEMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-6-14(7-3-1)9-5-11-17-13-15-8-4-10-16-12-15/h1-3,5-7,9,15-16H,4,8,10-13H2.
What are the key properties of 3-(3-phenylprop-2-enoxymethyl)piperidine?
3-(3-phenylprop-2-enoxymethyl)piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 76940377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).