4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine

C11H21F3N2O — CID 107390803

IUPAC4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine
SMILESCOC1(C)CCCN(C(C(C)N)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-8(15)9(11(12,13)14)16-6-4-5-10(2,7-16)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyKZLMCKXHSVYSEL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds3

About 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine

4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine (PubChem CID 107390803) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine
PubChem CID107390803
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine
SMILESCOC1(C)CCCN(C(C(C)N)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-8(15)9(11(12,13)14)16-6-4-5-10(2,7-16)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyKZLMCKXHSVYSEL-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
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 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine (CID 107390803) is 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine is COC1(C)CCCN(C(C(C)N)C(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine?
The InChIKey is KZLMCKXHSVYSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(15)9(11(12,13)14)16-6-4-5-10(2,7-16)17-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine?
4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methoxy-3-methylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 107390803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).