1-(1-methoxypropan-2-yl)piperidin-4-one

C9H17NO2 — CID 24709095

IUPAC1-(1-methoxypropan-2-yl)piperidin-4-one
SMILESCOCC(C)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-8(7-12-2)10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKeyNSPWBTMONYRWCO-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)piperidin-4-one

1-(1-methoxypropan-2-yl)piperidin-4-one (PubChem CID 24709095) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)piperidin-4-one
PubChem CID24709095
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1-methoxypropan-2-yl)piperidin-4-one
SMILESCOCC(C)N1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-8(7-12-2)10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKeyNSPWBTMONYRWCO-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)piperidin-4-one?
The IUPAC name of 1-(1-methoxypropan-2-yl)piperidin-4-one (CID 24709095) is 1-(1-methoxypropan-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)piperidin-4-one?
The canonical SMILES for 1-(1-methoxypropan-2-yl)piperidin-4-one is COCC(C)N1CCC(=O)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)piperidin-4-one?
The InChIKey is NSPWBTMONYRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-12-2)10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)piperidin-4-one?
1-(1-methoxypropan-2-yl)piperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)piperidin-4-one is sourced from PubChem (CID 24709095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).