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

C16H31FN2O — CID 171598429

IUPAC2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CCN(CC2CN(C(C)C)CCO2)C[C@@H]1F
InChIInChI=1S/C16H31FN2O/c1-12(2)15-5-6-18(11-16(15)17)9-14-10-19(13(3)4)7-8-20-14/h12-16H,5-11H2,1-4H3/t14?,15-,16-/m0/s1
InChIKeyUAAUPNPMRJYXMJ-YVZMLIKISA-N
MW286.44 g/mol
LogP2.41
Rot. Bonds4

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

2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 171598429) has the molecular formula C16H31FN2O and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID171598429
Molecular FormulaC16H31FN2O
Molecular Weight286.44 g/mol
Exact Mass286.24
IUPAC Name2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)[C@@H]1CCN(CC2CN(C(C)C)CCO2)C[C@@H]1F
InChIInChI=1S/C16H31FN2O/c1-12(2)15-5-6-18(11-16(15)17)9-14-10-19(13(3)4)7-8-20-14/h12-16H,5-11H2,1-4H3/t14?,15-,16-/m0/s1
InChIKeyUAAUPNPMRJYXMJ-YVZMLIKISA-N
XLogP2.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R,6S)-4-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 126517742
4-(3-Fluoro-1-methylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 126518457
(2S,6R)-4-[(3S,4R)-1-tert-butyl-3-fluoropiperidin-4-yl]-2,6-dimethylmorpholine
CID 129258297
4-(1-Tert-butyl-3-fluoropiperidin-4-yl)-2,6-dimethylmorpholine
CID 129268226
(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 139470614
3-Ethyl-1-[2-[3-(3-ethylpiperidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]piperidine
CID 142768093
3-Fluoro-4-methoxy-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 156187214
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
2-[(3-Fluoro-4-propan-2-ylpiperidin-1-yl)methyl]morpholine
CID 170952822
(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 171598560
2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
CID 171598745
3-Fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 171598864

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 171598429) is 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine is CC(C)[C@@H]1CCN(CC2CN(C(C)C)CCO2)C[C@@H]1F.
What is the InChIKey of 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is UAAUPNPMRJYXMJ-YVZMLIKISA-N. The full InChI is InChI=1S/C16H31FN2O/c1-12(2)15-5-6-18(11-16(15)17)9-14-10-19(13(3)4)7-8-20-14/h12-16H,5-11H2,1-4H3/t14?,15-,16-/m0/s1.
What are the key properties of 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine?
2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 286.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 171598429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).