3-[(2,5-dimethylphenyl)methylidene]piperidine

C14H19N — CID 79879354

IUPAC3-[(2,5-dimethylphenyl)methylidene]piperidine
SMILESCc1ccc(C)c(C=C2CCCNC2)c1
InChIInChI=1S/C14H19N/c1-11-5-6-12(2)14(8-11)9-13-4-3-7-15-10-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3
InChIKeyYRXSNEFEVINGBV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.07
Rot. Bonds1

About 3-[(2,5-dimethylphenyl)methylidene]piperidine

3-[(2,5-dimethylphenyl)methylidene]piperidine (PubChem CID 79879354) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylidene]piperidine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylidene]piperidine
PubChem CID79879354
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-[(2,5-dimethylphenyl)methylidene]piperidine
SMILESCc1ccc(C)c(C=C2CCCNC2)c1
InChIInChI=1S/C14H19N/c1-11-5-6-12(2)14(8-11)9-13-4-3-7-15-10-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3
InChIKeyYRXSNEFEVINGBV-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylidene]piperidine?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylidene]piperidine (CID 79879354) is 3-[(2,5-dimethylphenyl)methylidene]piperidine.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylidene]piperidine?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylidene]piperidine is Cc1ccc(C)c(C=C2CCCNC2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylidene]piperidine?
The InChIKey is YRXSNEFEVINGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-5-6-12(2)14(8-11)9-13-4-3-7-15-10-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methylidene]piperidine?
3-[(2,5-dimethylphenyl)methylidene]piperidine has a molecular weight of 201.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methylidene]piperidine is sourced from PubChem (CID 79879354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).