1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one

C13H22N2O — CID 596684

IUPAC1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1C=C(C2CCCCN2)CCC1
InChIInChI=1S/C13H22N2O/c1-2-13(16)15-9-5-6-11(10-15)12-7-3-4-8-14-12/h10,12,14H,2-9H2,1H3
InChIKeyLNZRGMLQBYDXRU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds2

About 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one

1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 596684) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID596684
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1C=C(C2CCCCN2)CCC1
InChIInChI=1S/C13H22N2O/c1-2-13(16)15-9-5-6-11(10-15)12-7-3-4-8-14-12/h10,12,14H,2-9H2,1H3
InChIKeyLNZRGMLQBYDXRU-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one (CID 596684) is 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one is CCC(=O)N1C=C(C2CCCCN2)CCC1.
What is the InChIKey of 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is LNZRGMLQBYDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-13(16)15-9-5-6-11(10-15)12-7-3-4-8-14-12/h10,12,14H,2-9H2,1H3.
What are the key properties of 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one?
1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 222.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 596684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).