1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride

C8H17Cl2F3N2 — CID 119057017

IUPAC1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
SMILESCCN1CCC(N)(C(F)(F)F)CC1.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-2-13-5-3-7(12,4-6-13)8(9,10)11;;/h2-6,12H2,1H3;2*1H
InChIKeyOOHIVGVWPJJDKJ-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.21
Rot. Bonds1

About 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride

1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride (PubChem CID 119057017) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
PubChem CID119057017
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Name1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride
SMILESCCN1CCC(N)(C(F)(F)F)CC1.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-2-13-5-3-7(12,4-6-13)8(9,10)11;;/h2-6,12H2,1H3;2*1H
InChIKeyOOHIVGVWPJJDKJ-UHFFFAOYSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride 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

N,N,4-trimethylpiperidin-4-amine dihydrochloride
CID 57481577
1,4-Dimethylpiperidin-4-amine dihydrochloride
CID 75415550
1-Methyl-4-(trifluoromethyl)piperidin-4-amine dihydrochloride
CID 75524992
4-(Trifluoromethyl)piperidin-4-amine dihydrochloride
CID 86811640
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine dihydrochloride
CID 119031603
N-chloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine;chloride
CID 49785057
N-chloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine
CID 49785058
1-(3-(Dichloroamino)-3-methylbutyl)-4,4-difluoro-1-methylpiperidinium chloride
CID 49785059
N,N-dichloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine
CID 49785060
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
4-(4,4-Difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine
CID 60134466
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591699

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride (CID 119057017) is 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride is CCN1CCC(N)(C(F)(F)F)CC1.Cl.Cl.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is OOHIVGVWPJJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c1-2-13-5-3-7(12,4-6-13)8(9,10)11;;/h2-6,12H2,1H3;2*1H.
What are the key properties of 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride?
1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 119057017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).