[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane

C12H24F2N2O — CID 176568586

IUPAC[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.CN1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O.C2H6/c1-13-2-4-14(5-3-13)7-9(8-15)6-10(9,11)12;1-2/h15H,2-8H2,1H3;1-2H3
InChIKeyLFKZEHKLQNQQBR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.28
Rot. Bonds3

About [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane

[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane (PubChem CID 176568586) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
PubChem CID176568586
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.CN1CCN(CC2(CO)CC2(F)F)CC1
InChIInChI=1S/C10H18F2N2O.C2H6/c1-13-2-4-14(5-3-13)7-9(8-15)6-10(9,11)12;1-2/h15H,2-8H2,1H3;1-2H3
InChIKeyLFKZEHKLQNQQBR-UHFFFAOYSA-N
XLogP1.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
[1-[(4-Methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 164878701
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[4-[[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methyl]piperazin-1-yl]ethanone
CID 172588202
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172588356
[(1R)-2,2-difluoro-1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 172588371
[(1R)-1-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,2-difluorocyclopropyl]methanol
CID 176131837
1-[[2,2-Difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568021
1-[[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568648
Ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
CID 176926450
1-[[1-(Ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
CID 176926451

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane?
The IUPAC name of [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane (CID 176568586) is [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane is CC.CN1CCN(CC2(CO)CC2(F)F)CC1.
What is the InChIKey of [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane?
The InChIKey is LFKZEHKLQNQQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O.C2H6/c1-13-2-4-14(5-3-13)7-9(8-15)6-10(9,11)12;1-2/h15H,2-8H2,1H3;1-2H3.
What are the key properties of [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane?
[2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane has a molecular weight of 250.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane is sourced from PubChem (CID 176568586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).