1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one

C14H22N2O — CID 110688696

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCC1CCCC(C)N1C(=O)CCn1cccc1
InChIInChI=1S/C14H22N2O/c1-12-6-5-7-13(2)16(12)14(17)8-11-15-9-3-4-10-15/h3-4,9-10,12-13H,5-8,11H2,1-2H3
InChIKeyDIXWVETWDYVUSC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one

1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 110688696) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID110688696
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCC1CCCC(C)N1C(=O)CCn1cccc1
InChIInChI=1S/C14H22N2O/c1-12-6-5-7-13(2)16(12)14(17)8-11-15-9-3-4-10-15/h3-4,9-10,12-13H,5-8,11H2,1-2H3
InChIKeyDIXWVETWDYVUSC-UHFFFAOYSA-N
XLogP2.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 110688696) is 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one is CC1CCCC(C)N1C(=O)CCn1cccc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is DIXWVETWDYVUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-6-5-7-13(2)16(12)14(17)8-11-15-9-3-4-10-15/h3-4,9-10,12-13H,5-8,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 110688696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).