2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H23F3N2O — CID 55087654

IUPAC2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-3-18-11-4-6-17(7-5-11)10(2)8-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyYWXHSPHFKYDHIY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds6

About 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55087654) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55087654
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCOC1CCN(C(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-3-18-11-4-6-17(7-5-11)10(2)8-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyYWXHSPHFKYDHIY-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-Difluoropropoxy)piperidine
CID 66696136
2-(4-methoxypiperidin-1-yl)-N-methylethanamine
CID 43373044
2-[4-(2,2-Difluoroethoxy)piperidin-1-yl]ethan-1-amine
CID 155858597
(3-Isopropoxy-propyl)-(1-methyl-piperidin-4-yl)-amine
CID 3155083
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
1-(3-Fluoro-4-methoxypiperidin-1-yl)propan-2-amine
CID 69000244
3,3-Difluoro-4-propan-2-yloxypiperidine
CID 118551902
(4R)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261751
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-(2,2,2-Trifluoroethoxy)piperidin-3-amine
CID 123362223
4-[2-(Dimethylamino)ethoxy]-6-(trifluoromethyl)piperidin-3-amine
CID 123775383

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55087654) is 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCOC1CCN(C(C)CNCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YWXHSPHFKYDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-18-11-4-6-17(7-5-11)10(2)8-16-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55087654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).