1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C14H26N2O2 — CID 71783036

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11/h11-12,17H,4-10H2,1-3H3
InChIKeyNALWRJRZPZQENB-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.95
Rot. Bonds3

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 71783036) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID71783036
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11/h11-12,17H,4-10H2,1-3H3
InChIKeyNALWRJRZPZQENB-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-N,2-dimethylpropanamide
CID 109928557
2-[(2-Cyclopropyl-2-hydroxyethyl)-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 112379618
1-[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-YL]-2,2-dimethylpropan-1-one hydrochloride
CID 71783035
2-(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
CID 71783272
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
CID 71783297
1-(3-Hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 15232649
1-(3-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340849
1-(3-Hydroxypiperidin-1-yl)-3-methylbutan-1-one
CID 43415672
1-(3-Hydroxypiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 43415682
(3-Hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
2-Cyclopropyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43419622
1-[(3S,5R)-3,5-dihydroxy-4-methylpiperidin-1-yl]propan-1-one
CID 53742934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 71783036) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is NALWRJRZPZQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)13(18)16-8-6-15(7-9-16)10-12(17)11-4-5-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71783036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).