4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine

C15H20ClN — CID 11507069

IUPAC4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H20ClN/c1-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12(14)2/h3-6,13H,1,7-11H2,2H3
InChIKeyOWXKEKOWRRYTTC-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.01
Rot. Bonds3

About 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine

4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine (PubChem CID 11507069) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine
PubChem CID11507069
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H20ClN/c1-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12(14)2/h3-6,13H,1,7-11H2,2H3
InChIKeyOWXKEKOWRRYTTC-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
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-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine (CID 11507069) is 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine is C=CCN1CCC(c2cccc(Cl)c2C)CC1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine?
The InChIKey is OWXKEKOWRRYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12(14)2/h3-6,13H,1,7-11H2,2H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine?
4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine has a molecular weight of 249.78 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 11507069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).