N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine

C8H15F3N2 — CID 171074116

IUPACN-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine
SMILESCNCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-12-6-13-4-2-3-7(5-13)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyLBPNDOAGPLJYTI-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine

N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine (PubChem CID 171074116) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine
PubChem CID171074116
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine
SMILESCNCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-12-6-13-4-2-3-7(5-13)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyLBPNDOAGPLJYTI-UHFFFAOYSA-N
XLogP1.44
TPSA15.27 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,1-dimethyl-5-(trifluoromethyl)piperidin-2-amine
CID 91237668
1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine
CID 116991226
N-methyl-1-[4-(trifluoromethyl)piperidin-1-yl]methanamine
CID 123344466
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine
CID 146243710
1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine
CID 155450433
1-(4,4-difluoropiperidin-1-yl)-N-methylmethanamine;N,N-dimethylethanamine
CID 162386735
2-(1,1-Difluoroethyl)-4-propan-2-yl-1,3-diazinane
CID 170416868
N'-cyclopropyl-N'-methyl-1-(4-propylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)methanediamine
CID 170707334
2-[(3S)-3-methylpiperidin-1-yl]-3-(trifluoromethyl)piperidine
CID 175408092
Ethane;3-methyl-6-(trifluoromethyl)piperidin-2-amine
CID 176942450
3-Methyl-6-(trifluoromethyl)piperidin-2-amine
CID 176942451
N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine
CID 176942529

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine (CID 171074116) is N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine is CNCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine?
The InChIKey is LBPNDOAGPLJYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-12-6-13-4-2-3-7(5-13)8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine?
N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine has a molecular weight of 196.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]methanamine is sourced from PubChem (CID 171074116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).