1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one

C14H27NO — CID 3030607

IUPAC1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCCCC1C
InChIInChI=1S/C14H27NO/c1-4-8-13(9-5-2)14(16)15-11-7-6-10-12(15)3/h12-13H,4-11H2,1-3H3
InChIKeyJOMPFTIGUVWCRD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one

1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one (PubChem CID 3030607) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one
PubChem CID3030607
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCCCC1C
InChIInChI=1S/C14H27NO/c1-4-8-13(9-5-2)14(16)15-11-7-6-10-12(15)3/h12-13H,4-11H2,1-3H3
InChIKeyJOMPFTIGUVWCRD-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one (CID 3030607) is 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCCCC1C.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one?
The InChIKey is JOMPFTIGUVWCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-8-13(9-5-2)14(16)15-11-7-6-10-12(15)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one?
1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-propylpentan-1-one is sourced from PubChem (CID 3030607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).