4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine

C11H18N2 — CID 66805449

IUPAC4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine
SMILESCC1CCN(C2C=CN=CC2)CC1
InChIInChI=1S/C11H18N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h2,6-7,10-11H,3-5,8-9H2,1H3
InChIKeyAHOLMZMGLPLFGX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds1

About 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine

4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine (PubChem CID 66805449) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine
PubChem CID66805449
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine
SMILESCC1CCN(C2C=CN=CC2)CC1
InChIInChI=1S/C11H18N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h2,6-7,10-11H,3-5,8-9H2,1H3
InChIKeyAHOLMZMGLPLFGX-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine (CID 66805449) is 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine is CC1CCN(C2C=CN=CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine?
The InChIKey is AHOLMZMGLPLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11/h2,6-7,10-11H,3-5,8-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine?
4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-3,4-dihydropyridine is sourced from PubChem (CID 66805449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).