ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine

C25H53F3N2O — CID 142345540

IUPACethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.CC.CC1CCC(N2CCOCC2)CC1.CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21NO.C8H14F3N.3C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-2-4-12(5-3-7)6-8(9,10)11;3*1-2/h10-11H,2-9H2,1H3;7H,2-6H2,1H3;3*1-2H3
InChIKeyHAXSUYJCAJIGLF-UHFFFAOYSA-N
MW454.71 g/mol
LogP7.26
Rot. Bonds2

About ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine

ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 142345540) has the molecular formula C25H53F3N2O and a molecular weight of 454.71 g/mol. Its IUPAC name is ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Nameethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID142345540
Molecular FormulaC25H53F3N2O
Molecular Weight454.71 g/mol
Exact Mass454.41
IUPAC Nameethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.CC.CC1CCC(N2CCOCC2)CC1.CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21NO.C8H14F3N.3C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-2-4-12(5-3-7)6-8(9,10)11;3*1-2/h10-11H,2-9H2,1H3;7H,2-6H2,1H3;3*1-2H3
InChIKeyHAXSUYJCAJIGLF-UHFFFAOYSA-N
XLogP7.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.71
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxetan-3-yl)-4-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
CID 130440259
3-Ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
CID 142768093
(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine
CID 146632658
1-Tert-butyl-4-[[4-[difluoro-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperidin-1-yl]methyl]piperidine
CID 172129219
4-[(1-Tert-butylpiperidin-4-yl)methyl]-4-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 172129305
4-(3-Fluoro-4-methylcyclohexyl)morpholine
CID 172367641
4-[(1R,3S,4R)-3-fluoro-4-methylcyclohexyl]morpholine
CID 176992500
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560
(2S)-4-[[(1R)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 100748040
4-[(3,3-Difluorocyclohexyl)methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 119038118
(2S)-4-[[(1S)-3,3-difluorocyclohexyl]methyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 124728278

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine (CID 142345540) is ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine is CC.CC.CC.CC1CCC(N2CCOCC2)CC1.CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is HAXSUYJCAJIGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C8H14F3N.3C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-7-2-4-12(5-3-7)6-8(9,10)11;3*1-2/h10-11H,2-9H2,1H3;7H,2-6H2,1H3;3*1-2H3.
What are the key properties of ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 454.71 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 142345540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).