(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone

C9H14F2N2O — CID 165368993

IUPAC(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CC1(F)F
InChIInChI=1S/C9H14F2N2O/c1-6-5-12-2-3-13(6)8(14)7-4-9(7,10)11/h6-7,12H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyNJAQJNNRSOVFQF-ULUSZKPHSA-N
MW204.22 g/mol
LogP0.46
Rot. Bonds1

About (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone

(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone (PubChem CID 165368993) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
PubChem CID165368993
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)C1CC1(F)F
InChIInChI=1S/C9H14F2N2O/c1-6-5-12-2-3-13(6)8(14)7-4-9(7,10)11/h6-7,12H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyNJAQJNNRSOVFQF-ULUSZKPHSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
CID 119473712
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470839
(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
CID 80596524
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472321
(5S)-5-[(2R)-2-methylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 94545844
4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119473611

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone (CID 165368993) is (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone is C[C@@H]1CNCCN1C(=O)C1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
The InChIKey is NJAQJNNRSOVFQF-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6-5-12-2-3-13(6)8(14)7-4-9(7,10)11/h6-7,12H,2-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone?
(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone has a molecular weight of 204.22 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 165368993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).