2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate

C13H17F2N3O2 — CID 175030898

IUPAC2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate
SMILESNC(=O)OCCN1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2N3O2/c14-10-1-2-12(11(15)9-10)18-5-3-17(4-6-18)7-8-20-13(16)19/h1-2,9H,3-8H2,(H2,16,19)
InChIKeyHNKGUNKSDKSMTB-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.18
Rot. Bonds4

About 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate

2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate (PubChem CID 175030898) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate
PubChem CID175030898
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate
SMILESNC(=O)OCCN1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2N3O2/c14-10-1-2-12(11(15)9-10)18-5-3-17(4-6-18)7-8-20-13(16)19/h1-2,9H,3-8H2,(H2,16,19)
InChIKeyHNKGUNKSDKSMTB-UHFFFAOYSA-N
XLogP1.18
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-4-hexylpiperazine
CID 59254947
2-[4-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 90900812
2-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]ethyl N,N-dimethylcarbamate
CID 86797298
2-[4-(2,4-difluorophenyl)piperazin-1-yl]acetonitrile
CID 82116841
3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029300
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 138106003
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 165432101
3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one
CID 70031659
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate?
The IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate (CID 175030898) is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate is NC(=O)OCCN1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate?
The InChIKey is HNKGUNKSDKSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-10-1-2-12(11(15)9-10)18-5-3-17(4-6-18)7-8-20-13(16)19/h1-2,9H,3-8H2,(H2,16,19).
What are the key properties of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate?
2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate has a molecular weight of 285.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl carbamate is sourced from PubChem (CID 175030898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).