1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol

C10H19F3N2O — CID 103366470

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-2-4-15(7-9)6-8(5-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyFGHZNKZHHBIJGZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol (PubChem CID 103366470) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol
PubChem CID103366470
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-2-4-15(7-9)6-8(5-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyFGHZNKZHHBIJGZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)piperidin-3-ol
CID 50990623
3-(Difluoromethyl)piperidin-3-ol
CID 71756930
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 145307662
3-[(3-Fluoroazetidin-1-yl)methyl]piperidin-3-ol
CID 156153151
Ethane;1-methyl-3-(trifluoromethyl)piperidin-3-ol
CID 166471354
4,4-Difluoro-1,3-dimethylpiperidin-3-ol;ethane
CID 168906550
4,4-Difluoro-3-methylpiperidin-3-ol
CID 168906655
3-(Aminomethyl)-1-tert-butyl-4-ethyl-4-fluoropiperidin-3-ol
CID 175467627
3-(Difluoromethyl)-1-propylpiperidin-3-ol
CID 175738596
1-Propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
(3S)-5,5-difluoro-3-methylpiperidin-3-ol
CID 178173097
(3R)-1-ethyl-3-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]piperidin-3-ol
CID 51984833

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol (CID 103366470) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol?
The InChIKey is FGHZNKZHHBIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(16)3-2-4-15(7-9)6-8(5-14)10(11,12)13/h8,16H,2-7,14H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 103366470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).