4-(piperidin-1-ylmethyl)-1,2-dihydropyridine

C11H18N2 — CID 23166923

IUPAC4-(piperidin-1-ylmethyl)-1,2-dihydropyridine
SMILESC1=CC(CN2CCCCC2)=CCN1
InChIInChI=1S/C11H18N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h4-6,12H,1-3,7-10H2
InChIKeyAOKKDJFMWJGDKX-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.52
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine

4-(piperidin-1-ylmethyl)-1,2-dihydropyridine (PubChem CID 23166923) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1,2-dihydropyridine
PubChem CID23166923
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(piperidin-1-ylmethyl)-1,2-dihydropyridine
SMILESC1=CC(CN2CCCCC2)=CCN1
InChIInChI=1S/C11H18N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h4-6,12H,1-3,7-10H2
InChIKeyAOKKDJFMWJGDKX-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine (CID 23166923) is 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine is C1=CC(CN2CCCCC2)=CCN1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine?
The InChIKey is AOKKDJFMWJGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-8-13(9-3-1)10-11-4-6-12-7-5-11/h4-6,12H,1-3,7-10H2.
What are the key properties of 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine?
4-(piperidin-1-ylmethyl)-1,2-dihydropyridine has a molecular weight of 178.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 23166923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).