[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride

C8H17Cl2F3N2 — CID 119056959

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H
InChIKeyYUACIXJZQCARNC-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.06
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride

[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride (PubChem CID 119056959) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
PubChem CID119056959
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H
InChIKeyYUACIXJZQCARNC-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514
3-(4,4-Difluoropiperidin-1-yl)propan-1-amine
CID 66570737
(4,4-Difluoro-1-methylpiperidin-3-yl)methanamine
CID 83854893
N,N-dimethyl-1-[(3R)-3-piperidyl]methanamine;dihydrochloride
CID 129319935
dimethyl((((3S)-piperidin-3-yl)methyl))amine dihydrochloride
CID 129319947
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine
CID 60922938
Dimethyl(piperidin-3-ylmethyl)amine dihydrochloride
CID 47002811
((3S)-1-methylpiperidin-3-yl)methanamine dihydrochloride
CID 72207264
1-[(3R)-1-methylpiperidin-3-yl]methanamine dihydrochloride
CID 72207358
(1-(2,2-Difluoroethyl)piperidin-4-yl)methanamine dihydrochloride
CID 119031603
4-Aminomethyl-1-(3,3,3-trifluoropropyl)-piperidine
CID 18678579
4-Aminomethyl-1-(4,4,4-trifluorobutyl)-piperidine
CID 18678636

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride (CID 119056959) is [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The InChIKey is YUACIXJZQCARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).