4-(2,2-dimethylpropyl)piperidin-2-one

C10H19NO — CID 76727513

IUPAC4-(2,2-dimethylpropyl)piperidin-2-one
SMILESCC(C)(C)CC1CCNC(=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-8-4-5-11-9(12)6-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyLJBGWEZNGLGCQU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds1

About 4-(2,2-dimethylpropyl)piperidin-2-one

4-(2,2-dimethylpropyl)piperidin-2-one (PubChem CID 76727513) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)piperidin-2-one
PubChem CID76727513
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2,2-dimethylpropyl)piperidin-2-one
SMILESCC(C)(C)CC1CCNC(=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)7-8-4-5-11-9(12)6-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyLJBGWEZNGLGCQU-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 85377811
4-(2-hydroxyethyl)piperidin-2-one
CID 70203271
ethane;(4S)-4-(ethoxymethyl)piperidin-2-one
CID 145338236
4-methylpiperidin-2-one;propane
CID 142565813
5-aminoazepan-2-one;ethane
CID 142912069
4-(2-oxopiperidin-4-yl)piperidin-2-one
CID 66803450
5-(hydroxymethyl)azepan-2-one
CID 75481334
(7-oxoazepan-4-yl)methanesulfonamide
CID 130621934
5-(2,2-dimethylpropyl)-2-hydroxycyclohexan-1-one
CID 134419420
[(4R)-2-oxopiperidin-4-yl]azanium
CID 27282256
4-cyclopropylpiperidin-2-one
CID 75132317

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)piperidin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)piperidin-2-one (CID 76727513) is 4-(2,2-dimethylpropyl)piperidin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)piperidin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)piperidin-2-one is CC(C)(C)CC1CCNC(=O)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)piperidin-2-one?
The InChIKey is LJBGWEZNGLGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)7-8-4-5-11-9(12)6-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-(2,2-dimethylpropyl)piperidin-2-one?
4-(2,2-dimethylpropyl)piperidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)piperidin-2-one is sourced from PubChem (CID 76727513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).