(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane

C12H23FN2O — CID 177202749

IUPAC(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
SMILESCC.CC1CN(C)CCN1C(=O)C1(F)CC1
InChIInChI=1S/C10H17FN2O.C2H6/c1-8-7-12(2)5-6-13(8)9(14)10(11)3-4-10;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyOVDRLMAVKGWMFU-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.68
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane

(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane (PubChem CID 177202749) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
PubChem CID177202749
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane
SMILESCC.CC1CN(C)CCN1C(=O)C1(F)CC1
InChIInChI=1S/C10H17FN2O.C2H6/c1-8-7-12(2)5-6-13(8)9(14)10(11)3-4-10;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyOVDRLMAVKGWMFU-UHFFFAOYSA-N
XLogP1.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylpiperazin-1-yl)-(1-methoxycyclopropyl)methanone
CID 177202718
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
N-[1-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]methanesulfonamide
CID 167978802
[1-(aminomethyl)-3-methylcyclobutyl]-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086567
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
(1-aminocyclohexyl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114085692
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]-(1-fluorocyclobutyl)methanone
CID 131686062
1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110707809

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane (CID 177202749) is (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane is CC.CC1CN(C)CCN1C(=O)C1(F)CC1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane?
The InChIKey is OVDRLMAVKGWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O.C2H6/c1-8-7-12(2)5-6-13(8)9(14)10(11)3-4-10;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane?
(2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane has a molecular weight of 230.33 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(1-fluorocyclopropyl)methanone;ethane is sourced from PubChem (CID 177202749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).