3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine

C14H22N2 — CID 70813854

IUPAC3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
SMILESCC1C=CN=CC1(C)C=C1CCN(C)CC1
InChIInChI=1S/C14H22N2/c1-12-4-7-15-11-14(12,2)10-13-5-8-16(3)9-6-13/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyGJMWGIPXGZZAND-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.88
Rot. Bonds1

About 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine

3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine (PubChem CID 70813854) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine.

Molecular Properties

Compound Name3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
PubChem CID70813854
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
SMILESCC1C=CN=CC1(C)C=C1CCN(C)CC1
InChIInChI=1S/C14H22N2/c1-12-4-7-15-11-14(12,2)10-13-5-8-16(3)9-6-13/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyGJMWGIPXGZZAND-UHFFFAOYSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The IUPAC name of 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine (CID 70813854) is 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine.
What is the SMILES notation for 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The canonical SMILES for 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine is CC1C=CN=CC1(C)C=C1CCN(C)CC1.
What is the InChIKey of 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The InChIKey is GJMWGIPXGZZAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-7-15-11-14(12,2)10-13-5-8-16(3)9-6-13/h4,7,10-12H,5-6,8-9H2,1-3H3.
What are the key properties of 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine has a molecular weight of 218.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine is sourced from PubChem (CID 70813854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).