4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one

C10H16F2N2O — CID 126793831

IUPAC4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
SMILESO=C1CN(CC2CCCC2(F)F)CCN1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-2-8(10)6-14-5-4-13-9(15)7-14/h8H,1-7H2,(H,13,15)
InChIKeyTYSLHOZKBGWANT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds2

About 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one

4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one (PubChem CID 126793831) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
PubChem CID126793831
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
SMILESO=C1CN(CC2CCCC2(F)F)CCN1
InChIInChI=1S/C10H16F2N2O/c11-10(12)3-1-2-8(10)6-14-5-4-13-9(15)7-14/h8H,1-7H2,(H,13,15)
InChIKeyTYSLHOZKBGWANT-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-2-one
CID 50971793
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
4-[(1-methylcyclopropyl)methyl]piperazin-2-one
CID 130831729
4-(aminomethyl)piperazin-2-one
CID 170083985
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 131007514
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one (CID 126793831) is 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one is O=C1CN(CC2CCCC2(F)F)CCN1.
What is the InChIKey of 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one?
The InChIKey is TYSLHOZKBGWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-10(12)3-1-2-8(10)6-14-5-4-13-9(15)7-14/h8H,1-7H2,(H,13,15).
What are the key properties of 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one?
4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one has a molecular weight of 218.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one is sourced from PubChem (CID 126793831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).