1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one

C13H23NO2 — CID 47026166

IUPAC1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCC2CCCO2)C1
InChIInChI=1S/C13H23NO2/c1-11-4-2-8-14(10-11)13(15)7-6-12-5-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyZYVLRFFHDODNDS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one

1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 47026166) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID47026166
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCC2CCCO2)C1
InChIInChI=1S/C13H23NO2/c1-11-4-2-8-14(10-11)13(15)7-6-12-5-3-9-16-12/h11-12H,2-10H2,1H3
InChIKeyZYVLRFFHDODNDS-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one (CID 47026166) is 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one is CC1CCCN(C(=O)CCC2CCCO2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ZYVLRFFHDODNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11-4-2-8-14(10-11)13(15)7-6-12-5-3-9-16-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one?
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 47026166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).