1-(2-methylpropyl)piperidin-4-one

C9H17NO — CID 4202451

IUPAC1-(2-methylpropyl)piperidin-4-one
SMILESCC(C)CN1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKeyKMTASGXMTBUSSP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-methylpropyl)piperidin-4-one

1-(2-methylpropyl)piperidin-4-one (PubChem CID 4202451) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methylpropyl)piperidin-4-one
PubChem CID4202451
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methylpropyl)piperidin-4-one
SMILESCC(C)CN1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
InChIKeyKMTASGXMTBUSSP-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)piperidin-4-one?
The IUPAC name of 1-(2-methylpropyl)piperidin-4-one (CID 4202451) is 1-(2-methylpropyl)piperidin-4-one.
What is the SMILES notation for 1-(2-methylpropyl)piperidin-4-one?
The canonical SMILES for 1-(2-methylpropyl)piperidin-4-one is CC(C)CN1CCC(=O)CC1.
What is the InChIKey of 1-(2-methylpropyl)piperidin-4-one?
The InChIKey is KMTASGXMTBUSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)piperidin-4-one?
1-(2-methylpropyl)piperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperidin-4-one is sourced from PubChem (CID 4202451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).