[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite

C10H19FN2O — CID 164878701

IUPAC[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
SMILESCN1CCN(CC2(COF)CC2)CC1
InChIInChI=1S/C10H19FN2O/c1-12-4-6-13(7-5-12)8-10(2-3-10)9-14-11/h2-9H2,1H3
InChIKeyDFKQJRXMYYOEPC-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.92
Rot. Bonds4

About [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite

[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite (PubChem CID 164878701) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite.

Molecular Properties

Compound Name[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
PubChem CID164878701
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
SMILESCN1CCN(CC2(COF)CC2)CC1
InChIInChI=1S/C10H19FN2O/c1-12-4-6-13(7-5-12)8-10(2-3-10)9-14-11/h2-9H2,1H3
InChIKeyDFKQJRXMYYOEPC-UHFFFAOYSA-N
XLogP0.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Piperidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878819
[1-[[Ethyl(propyl)amino]methyl]cyclopropyl]methyl hypofluorite
CID 170772014
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350463
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172588356
1-[[2,2-Difluoro-1-(propoxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568021
1-[[2,2-Difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine;ethane
CID 176568039
1-[[2,2-Difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-methylpiperazine
CID 176568040
[2,2-Difluoro-1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 176568586
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 [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The IUPAC name of [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite (CID 164878701) is [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite.
What is the SMILES notation for [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The canonical SMILES for [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite is CN1CCN(CC2(COF)CC2)CC1.
What is the InChIKey of [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The InChIKey is DFKQJRXMYYOEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-12-4-6-13(7-5-12)8-10(2-3-10)9-14-11/h2-9H2,1H3.
What are the key properties of [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite has a molecular weight of 202.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite is sourced from PubChem (CID 164878701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).