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

C13H20N2 — CID 143046256

IUPAC3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
SMILESCN1CCC(=CC2(C)C=NC=CC2)CC1
InChIInChI=1S/C13H20N2/c1-13(6-3-7-14-11-13)10-12-4-8-15(2)9-5-12/h3,7,10-11H,4-6,8-9H2,1-2H3
InChIKeyNDERHZDPCJNZSA-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.63
Rot. Bonds1

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

3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine (PubChem CID 143046256) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine.

Molecular Properties

Compound Name3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
PubChem CID143046256
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
SMILESCN1CCC(=CC2(C)C=NC=CC2)CC1
InChIInChI=1S/C13H20N2/c1-13(6-3-7-14-11-13)10-12-4-8-15(2)9-5-12/h3,7,10-11H,4-6,8-9H2,1-2H3
InChIKeyNDERHZDPCJNZSA-UHFFFAOYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 70813854
(3R)-3,4-dimethyl-3-(piperidin-4-ylidenemethyl)-4H-pyridine
CID 71198306
N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
CID 134433362
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
methane;3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143431658
N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
CID 143866555
N-ethenyl-3-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-1-imine
CID 171506437

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The IUPAC name of 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine (CID 143046256) is 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine.
What is the SMILES notation for 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The canonical SMILES for 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine is CN1CCC(=CC2(C)C=NC=CC2)CC1.
What is the InChIKey of 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
The InChIKey is NDERHZDPCJNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(6-3-7-14-11-13)10-12-4-8-15(2)9-5-12/h3,7,10-11H,4-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine?
3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine is sourced from PubChem (CID 143046256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).