3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine

C15H21N — CID 66809492

IUPAC3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccccc1CC1CCCNC1
InChIInChI=1S/C15H21N/c1-12(2)15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,1,5-6,9-11H2,2H3
InChIKeyGZVNYSDBMBQNEB-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.26
Rot. Bonds3

About 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine

3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine (PubChem CID 66809492) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
PubChem CID66809492
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
SMILESC=C(C)c1ccccc1CC1CCCNC1
InChIInChI=1S/C15H21N/c1-12(2)15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,1,5-6,9-11H2,2H3
InChIKeyGZVNYSDBMBQNEB-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(2-methoxyphenyl)methyl]piperidine
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CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
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CID 117363445
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
2-(pyrrolidin-3-ylmethyl)phenol
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4-[(5-tert-butyl-2-prop-1-en-2-ylphenyl)methyl]piperidine
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CID 117118019

Frequently Asked Questions

What is the IUPAC name of 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine (CID 66809492) is 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine is C=C(C)c1ccccc1CC1CCCNC1.
What is the InChIKey of 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine?
The InChIKey is GZVNYSDBMBQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12(2)15-8-4-3-7-14(15)10-13-6-5-9-16-11-13/h3-4,7-8,13,16H,1,5-6,9-11H2,2H3.
What are the key properties of 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine?
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine has a molecular weight of 215.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 66809492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).