2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one

C12H24N2O — CID 82241664

IUPAC2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-9(2)10-8-14(7-6-13-10)11(15)12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyOFHVZBCBKZGZMH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds1

About 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 82241664) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID82241664
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(C)C)CCN1
InChIInChI=1S/C12H24N2O/c1-9(2)10-8-14(7-6-13-10)11(15)12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyOFHVZBCBKZGZMH-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82243511
trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
CID 175653965
ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 144702631
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
CID 83853732
1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 137429583
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82242605
(1-phenylcyclobutyl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 82249953
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one (CID 82241664) is 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)C1CN(C(=O)C(C)(C)C)CCN1.
What is the InChIKey of 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is OFHVZBCBKZGZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10-8-14(7-6-13-10)11(15)12(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82241664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).