3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine

C10H19F3N2O — CID 107390675

IUPAC3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
SMILESCOC1(C)CCCN(C(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(16-2)4-3-5-15(7-9)8(6-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyLNFKKAKYXDUBCR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds3

About 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine

3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine (PubChem CID 107390675) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
PubChem CID107390675
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
SMILESCOC1(C)CCCN(C(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-9(16-2)4-3-5-15(7-9)8(6-14)10(11,12)13/h8H,3-7,14H2,1-2H3
InChIKeyLNFKKAKYXDUBCR-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
CID 122669557
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
3,3,3-Trifluoro-2-(3-propoxypiperidin-1-yl)propan-1-amine
CID 54984987
2-(3-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087914
[4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 55257530
2-(3-Ethoxypiperidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 61570584
2-(2,2-Dimethylmorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
CID 61647702
4,4,4-Trifluoro-3-(3-propoxypiperidin-1-yl)butan-2-amine
CID 61647765
1,1,1-Trifluoro-2-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 61647766
3-(3-Ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-2-amine
CID 61647816
2-(3-Ethoxypiperidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 61647817
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 61716995

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine (CID 107390675) is 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine is COC1(C)CCCN(C(CN)C(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is LNFKKAKYXDUBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(16-2)4-3-5-15(7-9)8(6-14)10(11,12)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine?
3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 107390675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).