4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine

C12H25FN2 — CID 146658892

IUPAC4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCN(CC(C)(C)C)CC1CCF
InChIInChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3
InChIKeyVEFXKKVPEBGYBA-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.01
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine

4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine (PubChem CID 146658892) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
PubChem CID146658892
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine
SMILESCN1CCN(CC(C)(C)C)CC1CCF
InChIInChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3
InChIKeyVEFXKKVPEBGYBA-UHFFFAOYSA-N
XLogP2.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
methyl 2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropanoate
CID 55217174
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
CID 64787073
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propylamino)propanoic acid
CID 63634896
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
1-(2,2-dimethylpropyl)-4-[(3S,5R)-5-(2,2-dimethylpropyl)-1-methylpyrrolidin-3-yl]piperazine
CID 176594565
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
4-[2-(bromomethyl)-2-propylpentyl]-2-ethyl-1-methylpiperazine
CID 65005724
4-[1-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-2-yl]aniline
CID 80556451

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine (CID 146658892) is 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine is CN1CCN(CC(C)(C)C)CC1CCF.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
The InChIKey is VEFXKKVPEBGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-12(2,3)10-15-8-7-14(4)11(9-15)5-6-13/h11H,5-10H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine?
4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine has a molecular weight of 216.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(2-fluoroethyl)-1-methylpiperazine is sourced from PubChem (CID 146658892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).