[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

C8H15F3N2 — CID 18425514

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2
InChIKeyBLNSEFCVKGFFBT-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine

[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (PubChem CID 18425514) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
PubChem CID18425514
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2
InChIKeyBLNSEFCVKGFFBT-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethyl)piperidine
CID 136469
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902
[1-(3-Methylbutyl)piperidin-4-yl]methanamine
CID 24274890
(1-Ethylpiperidin-4-yl)methanamine
CID 2794704
(1-Propylpiperidin-4-yl)methanamine
CID 3164324
4-(4-Methylpiperidin-1-yl)butan-1-amine
CID 7138415
4-Aminomethyl-1-N-butylpiperidine
CID 10442133
1-(1-Isobutylpiperidin-4-YL)methanamine
CID 22992230
2-(1-Propylpiperidin-4-Yl)Ethanamine
CID 28063562

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine (CID 18425514) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine is NCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
The InChIKey is BLNSEFCVKGFFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)6-13-3-1-7(5-12)2-4-13/h7H,1-6,12H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanamine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 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-4-yl]methanamine is sourced from PubChem (CID 18425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).