4-(4-methyl-2-prop-2-enylphenyl)piperidine

C15H21N — CID 155201541

IUPAC4-(4-methyl-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1cc(C)ccc1C1CCNCC1
InChIInChI=1S/C15H21N/c1-3-4-14-11-12(2)5-6-15(14)13-7-9-16-10-8-13/h3,5-6,11,13,16H,1,4,7-10H2,2H3
InChIKeyRDUHDPBLYQHOFO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds3

About 4-(4-methyl-2-prop-2-enylphenyl)piperidine

4-(4-methyl-2-prop-2-enylphenyl)piperidine (PubChem CID 155201541) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(4-methyl-2-prop-2-enylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-2-prop-2-enylphenyl)piperidine
PubChem CID155201541
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4-(4-methyl-2-prop-2-enylphenyl)piperidine
SMILESC=CCc1cc(C)ccc1C1CCNCC1
InChIInChI=1S/C15H21N/c1-3-4-14-11-12(2)5-6-15(14)13-7-9-16-10-8-13/h3,5-6,11,13,16H,1,4,7-10H2,2H3
InChIKeyRDUHDPBLYQHOFO-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-prop-2-enylphenyl)piperidine?
The IUPAC name of 4-(4-methyl-2-prop-2-enylphenyl)piperidine (CID 155201541) is 4-(4-methyl-2-prop-2-enylphenyl)piperidine.
What is the SMILES notation for 4-(4-methyl-2-prop-2-enylphenyl)piperidine?
The canonical SMILES for 4-(4-methyl-2-prop-2-enylphenyl)piperidine is C=CCc1cc(C)ccc1C1CCNCC1.
What is the InChIKey of 4-(4-methyl-2-prop-2-enylphenyl)piperidine?
The InChIKey is RDUHDPBLYQHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-4-14-11-12(2)5-6-15(14)13-7-9-16-10-8-13/h3,5-6,11,13,16H,1,4,7-10H2,2H3.
What are the key properties of 4-(4-methyl-2-prop-2-enylphenyl)piperidine?
4-(4-methyl-2-prop-2-enylphenyl)piperidine has a molecular weight of 215.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-prop-2-enylphenyl)piperidine is sourced from PubChem (CID 155201541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).