1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine

C10H20FN3 — CID 156559157

IUPAC1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2(F)CN(C)C2)CC1
InChIInChI=1S/C10H20FN3/c1-12-3-5-14(6-4-12)9-10(11)7-13(2)8-10/h3-9H2,1-2H3
InChIKeyGWPOTYQTIUVSLT-UHFFFAOYSA-N
MW201.29 g/mol
LogP-0.11
Rot. Bonds2

About 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine

1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine (PubChem CID 156559157) has the molecular formula C10H20FN3 and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
PubChem CID156559157
Molecular FormulaC10H20FN3
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(CC2(F)CN(C)C2)CC1
InChIInChI=1S/C10H20FN3/c1-12-3-5-14(6-4-12)9-10(11)7-13(2)8-10/h3-9H2,1-2H3
InChIKeyGWPOTYQTIUVSLT-UHFFFAOYSA-N
XLogP-0.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
1-[(3-fluoropiperidin-3-yl)methyl]-4-methylpiperazine
CID 84681273
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
1-[4-fluoro-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 166113245
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1,4-dimethylpiperazine;ethane
CID 91292414
ethane;1-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]-4-methylpiperazine
CID 176926450
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
CID 59049794
1-(3-fluoro-1-methylazetidin-3-yl)-N,N-dimethylmethanamine
CID 147431270
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine (CID 156559157) is 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine is CN1CCN(CC2(F)CN(C)C2)CC1.
What is the InChIKey of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine?
The InChIKey is GWPOTYQTIUVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN3/c1-12-3-5-14(6-4-12)9-10(11)7-13(2)8-10/h3-9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine?
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine has a molecular weight of 201.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 156559157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).