cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone

C14H16F2N2O — CID 113081215

IUPACcyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H16F2N2O/c15-11-2-1-3-12(16)13(11)17-6-8-18(9-7-17)14(19)10-4-5-10/h1-3,10H,4-9H2
InChIKeyQMUYTXLVXCSQSB-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.02
Rot. Bonds2

About cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone (PubChem CID 113081215) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
PubChem CID113081215
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namecyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H16F2N2O/c15-11-2-1-3-12(16)13(11)17-6-8-18(9-7-17)14(19)10-4-5-10/h1-3,10H,4-9H2
InChIKeyQMUYTXLVXCSQSB-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 136549408
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
CID 169240229
4-(4-acetylpiperazine-1-carbonyl)-N-(2,6-difluorophenyl)cyclohexane-1-carboxamide
CID 109147743
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone (CID 113081215) is cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QMUYTXLVXCSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-11-2-1-3-12(16)13(11)17-6-8-18(9-7-17)14(19)10-4-5-10/h1-3,10H,4-9H2.
What are the key properties of cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone has a molecular weight of 266.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113081215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).