5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine

C12H25FN2 — CID 80696297

IUPAC5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(C)CN1
InChIInChI=1S/C12H25FN2/c1-5-10(2)11-8-15(7-6-13)12(3,4)9-14-11/h10-11,14H,5-9H2,1-4H3
InChIKeyNFTBDJXNGKRVNY-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.05
Rot. Bonds4

About 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine

5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine (PubChem CID 80696297) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
PubChem CID80696297
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(C)CN1
InChIInChI=1S/C12H25FN2/c1-5-10(2)11-8-15(7-6-13)12(3,4)9-14-11/h10-11,14H,5-9H2,1-4H3
InChIKeyNFTBDJXNGKRVNY-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
5-butan-2-yl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64849215
5-butan-2-yl-1-(2-ethylsulfonylethyl)-2,2-dimethylpiperazine
CID 106733099
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
CID 64848829
5-butan-2-yl-1,2,2-trimethylpiperazine
CID 64847098
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-1-(2-fluoroethyl)-2-methyl-2-phenylpiperazine
CID 80696880
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
5-butan-2-yl-2,2-dimethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64848061
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine (CID 80696297) is 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine is CCC(C)C1CN(CCF)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
The InChIKey is NFTBDJXNGKRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-5-10(2)11-8-15(7-6-13)12(3,4)9-14-11/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine?
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine has a molecular weight of 216.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 80696297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).