2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine

C17H33FN2O — CID 171598745

IUPAC2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CCN(CCC2CN(C(C)C)CCO2)C[C@@H]1F
InChIInChI=1S/C17H33FN2O/c1-13(2)16-6-8-19(12-17(16)18)7-5-15-11-20(14(3)4)9-10-21-15/h13-17H,5-12H2,1-4H3/t15?,16-,17-/m0/s1
InChIKeyGBRBTLUZIRMMTO-BSOSBYQFSA-N
MW300.46 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine

2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine (PubChem CID 171598745) has the molecular formula C17H33FN2O and a molecular weight of 300.46 g/mol. Its IUPAC name is 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
PubChem CID171598745
Molecular FormulaC17H33FN2O
Molecular Weight300.46 g/mol
Exact Mass300.26
IUPAC Name2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CCN(CCC2CN(C(C)C)CCO2)C[C@@H]1F
InChIInChI=1S/C17H33FN2O/c1-13(2)16-6-8-19(12-17(16)18)7-5-15-11-20(14(3)4)9-10-21-15/h13-17H,5-12H2,1-4H3/t15?,16-,17-/m0/s1
InChIKeyGBRBTLUZIRMMTO-BSOSBYQFSA-N
XLogP2.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine with MolForge

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 54393529
2-[1-(4,4-Difluoropiperidin-1-yl)-2-methylpropan-2-yl]-4-(2-methylpropyl)morpholine
CID 130368442
2-[3-(4,4-Difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
CID 130368452
3-Ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
CID 142768093
4,5-Di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
CID 146614566
3-Fluoro-1-(3-methylbutyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187209
3-Fluoro-4-methoxy-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 156187214
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
1-(2,2-Difluoropropyl)-4-propan-2-ylpiperidine;1-propan-2-yl-4-(trifluoromethoxy)piperidine
CID 157479783
3-Fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 165116637
3-Fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 165372732
3-Fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
CID 165372739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine (CID 171598745) is 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine is CC(C)[C@@H]1CCN(CCC2CN(C(C)C)CCO2)C[C@@H]1F.
What is the InChIKey of 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine?
The InChIKey is GBRBTLUZIRMMTO-BSOSBYQFSA-N. The full InChI is InChI=1S/C17H33FN2O/c1-13(2)16-6-8-19(12-17(16)18)7-5-15-11-20(14(3)4)9-10-21-15/h13-17H,5-12H2,1-4H3/t15?,16-,17-/m0/s1.
What are the key properties of 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine?
2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine has a molecular weight of 300.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 171598745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).