(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone

C12H20F2N2O — CID 114189006

IUPAC(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCC(F)(F)C2)CCN1
InChIInChI=1S/C12H20F2N2O/c1-11(2)8-16(6-5-15-11)10(17)9-3-4-12(13,14)7-9/h9,15H,3-8H2,1-2H3
InChIKeyCFOBXRDIMSQROO-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds1

About (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone

(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 114189006) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID114189006
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCC(F)(F)C2)CCN1
InChIInChI=1S/C12H20F2N2O/c1-11(2)8-16(6-5-15-11)10(17)9-3-4-12(13,14)7-9/h9,15H,3-8H2,1-2H3
InChIKeyCFOBXRDIMSQROO-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131008066
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 79506964
1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 120983111
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone (CID 114189006) is (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)C2CCC(F)(F)C2)CCN1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is CFOBXRDIMSQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-11(2)8-16(6-5-15-11)10(17)9-3-4-12(13,14)7-9/h9,15H,3-8H2,1-2H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone?
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 246.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114189006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).