1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine

C14H28F3N3 — CID 115517604

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
SMILESCCNC(CCCC(F)(F)F)CC1CN(C)CCN1C
InChIInChI=1S/C14H28F3N3/c1-4-18-12(6-5-7-14(15,16)17)10-13-11-19(2)8-9-20(13)3/h12-13,18H,4-11H2,1-3H3
InChIKeyLBHOBDDCNGSUJY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.33
Rot. Bonds7

About 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine (PubChem CID 115517604) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
PubChem CID115517604
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine
SMILESCCNC(CCCC(F)(F)F)CC1CN(C)CCN1C
InChIInChI=1S/C14H28F3N3/c1-4-18-12(6-5-7-14(15,16)17)10-13-11-19(2)8-9-20(13)3/h12-13,18H,4-11H2,1-3H3
InChIKeyLBHOBDDCNGSUJY-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine with MolForge

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Related Compounds

4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326353
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 115415511
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
CID 116535695
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
1-(cyclohepten-1-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 106654179

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine (CID 115517604) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine is CCNC(CCCC(F)(F)F)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
The InChIKey is LBHOBDDCNGSUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-4-18-12(6-5-7-14(15,16)17)10-13-11-19(2)8-9-20(13)3/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 115517604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).