4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid

C10H18F2N2O2 — CID 132586122

IUPAC4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)8-14-6-4-13(5-7-14)3-1-2-10(15)16/h9H,1-8H2,(H,15,16)
InChIKeyHNLSPEOEWQXXMO-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.73
Rot. Bonds6

About 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid

4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid (PubChem CID 132586122) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid
PubChem CID132586122
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)8-14-6-4-13(5-7-14)3-1-2-10(15)16/h9H,1-8H2,(H,15,16)
InChIKeyHNLSPEOEWQXXMO-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Piperazinedibutanic acid
CID 19437333
4-(4,4-Difluoro-piperidin-1-yl)-butyric acid
CID 116991213
4-(3,3-Difluoropiperidin-1-yl)butanoic acid
CID 116991326
4-[4-(Trifluoromethyl)piperazin-1-yl]butanoic acid
CID 175233017
4-Oxo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 43580111
3-(3-Ethyl-4-methylpiperazin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55215849
3-[4-(2,2-Difluoroethyl)piperazin-1-yl]propanoic acid
CID 60922292
4-[Propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61604872
Methyl 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 62968055
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanoic acid
CID 62968056
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 62968936
4-[Methyl-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62969345

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid (CID 132586122) is 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid is O=C(O)CCCN1CCN(CC(F)F)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid?
The InChIKey is HNLSPEOEWQXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)8-14-6-4-13(5-7-14)3-1-2-10(15)16/h9H,1-8H2,(H,15,16).
What are the key properties of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid?
4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid has a molecular weight of 236.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 132586122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).