2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine

C12H21F3N2O — CID 113398961

IUPAC2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine
SMILESCC(C1CNCCO1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9(11-7-16-4-6-18-11)17-5-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyTYUSGNNOXRMSJR-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds2

About 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine

2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine (PubChem CID 113398961) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine
PubChem CID113398961
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine
SMILESCC(C1CNCCO1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-9(11-7-16-4-6-18-11)17-5-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyTYUSGNNOXRMSJR-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
2-(1-morpholin-2-ylethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 113398970
methyl N-[1-(1-morpholin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 113402708
2-[3-(trifluoromethyl)piperidin-1-yl]propanenitrile
CID 60646401
(2R)-2-(difluoromethyl)morpholine
CID 97296988
(2S)-2-(difluoromethyl)morpholine;hydrochloride
CID 140765944
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
1-[1-(oxolan-2-yl)ethyl]piperazine
CID 60862286
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
1-(4-methylpiperidin-3-yl)-3-(trifluoromethyl)piperidine
CID 66273927
2,2,2-trifluoro-1-morpholin-2-ylethanol
CID 175950146
1-[1-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 64942765

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine?
The IUPAC name of 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine (CID 113398961) is 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine is CC(C1CNCCO1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine?
The InChIKey is TYUSGNNOXRMSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(11-7-16-4-6-18-11)17-5-2-3-10(8-17)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine?
2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 113398961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).