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

C12H23F3N2O — CID 107390661

IUPAC1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCCC(C)(OC)C1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-9(16)10(12(13,14)15)17-7-5-6-11(2,8-17)18-3/h9-10H,4-8,16H2,1-3H3
InChIKeyFISCOTRHHQGDJW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds4

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

1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine (PubChem CID 107390661) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine
PubChem CID107390661
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine
SMILESCCC(N)C(N1CCCC(C)(OC)C1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-9(16)10(12(13,14)15)17-7-5-6-11(2,8-17)18-3/h9-10H,4-8,16H2,1-3H3
InChIKeyFISCOTRHHQGDJW-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
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 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine (CID 107390661) is 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine is CCC(N)C(N1CCCC(C)(OC)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine?
The InChIKey is FISCOTRHHQGDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-9(16)10(12(13,14)15)17-7-5-6-11(2,8-17)18-3/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pentan-3-amine is sourced from PubChem (CID 107390661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).