1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one

C12H23NO — CID 79537849

IUPAC1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)9-13-7-5-4-6-12(13)8-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyBIVXEWRCWUITCJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one

1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one (PubChem CID 79537849) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
PubChem CID79537849
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)9-13-7-5-4-6-12(13)8-11(3)14/h10,12H,4-9H2,1-3H3
InChIKeyBIVXEWRCWUITCJ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
1-[1-(2,3-dihydroxypropyl)azepan-2-yl]propan-2-one
CID 82851054
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
1-(1-prop-2-ynylazepan-2-yl)propan-2-one
CID 79560607
1-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79546157
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one (CID 79537849) is 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC(C)C.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one?
The InChIKey is BIVXEWRCWUITCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)9-13-7-5-4-6-12(13)8-11(3)14/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one?
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79537849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).