N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H23F3N4O — CID 128970823

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-21-8-5-19-14(21)13-12(4-9-23-13)20-11-2-6-22(7-3-11)10-15(16,17)18/h5,8,11-13,20H,2-4,6-7,9-10H2,1H3/t12-,13-/m0/s1
InChIKeySGXALIUBYOKVHN-STQMWFEESA-N
MW332.37 g/mol
LogP1.87
Rot. Bonds4

About N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 128970823) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID128970823
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-21-8-5-19-14(21)13-12(4-9-23-13)20-11-2-6-22(7-3-11)10-15(16,17)18/h5,8,11-13,20H,2-4,6-7,9-10H2,1H3/t12-,13-/m0/s1
InChIKeySGXALIUBYOKVHN-STQMWFEESA-N
XLogP1.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 128973363
[(2R,3R)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 128975674
N-(2-cyclopropyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914619
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1R,3S,5R)-3-methyl-5-phenylcyclohexyl]oxolan-3-amine
CID 129474553
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 129007180
(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 154794373
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 154802200
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 154795667

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 128970823) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is SGXALIUBYOKVHN-STQMWFEESA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-21-8-5-19-14(21)13-12(4-9-23-13)20-11-2-6-22(7-3-11)10-15(16,17)18/h5,8,11-13,20H,2-4,6-7,9-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 128970823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).