3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone

C12H20N2O — CID 114409116

IUPAC3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CC=CCC2)CCNCC1
InChIInChI=1S/C12H20N2O/c1-12(5-7-13-8-6-12)11(15)14-9-3-2-4-10-14/h2-3,13H,4-10H2,1H3
InChIKeyHQSSRYDJQIBHLV-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone

3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone (PubChem CID 114409116) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
PubChem CID114409116
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)N2CC=CCC2)CCNCC1
InChIInChI=1S/C12H20N2O/c1-12(5-7-13-8-6-12)11(15)14-9-3-2-4-10-14/h2-3,13H,4-10H2,1H3
InChIKeyHQSSRYDJQIBHLV-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
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 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone (CID 114409116) is 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)N2CC=CCC2)CCNCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone?
The InChIKey is HQSSRYDJQIBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(5-7-13-8-6-12)11(15)14-9-3-2-4-10-14/h2-3,13H,4-10H2,1H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 114409116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).