(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine

C16H25F3N4O — CID 124733898

IUPAC(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CCO1
InChIInChI=1S/C16H25F3N4O/c1-12-10-23(7-8-24-12)6-5-22-4-2-3-13(11-22)15-20-9-14(21-15)16(17,18)19/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyLTXQAYWBBMQHSX-OLZOCXBDSA-N
MW346.40 g/mol
LogP2.33
Rot. Bonds4

About (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine

(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine (PubChem CID 124733898) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
PubChem CID124733898
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
SMILESC[C@@H]1CN(CCN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CCO1
InChIInChI=1S/C16H25F3N4O/c1-12-10-23(7-8-24-12)6-5-22-4-2-3-13(11-22)15-20-9-14(21-15)16(17,18)19/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t12-,13+/m1/s1
InChIKeyLTXQAYWBBMQHSX-OLZOCXBDSA-N
XLogP2.33
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
CID 71694279
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
CID 71694291
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 86803437
[(2S)-4-methylmorpholin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 164635704
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
2-ethoxy-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 75383896
2-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl N,N-dimethylcarbamate
CID 91660942
2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 100664258
2,5-dimethyl-3-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 100664273
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]morpholine
CID 105476962
3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pentan-3-ol
CID 109991420
3-(5-methyl-1H-imidazol-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 110103880

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine?
The IUPAC name of (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine (CID 124733898) is (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine is C[C@@H]1CN(CCN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CCO1.
What is the InChIKey of (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine?
The InChIKey is LTXQAYWBBMQHSX-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-12-10-23(7-8-24-12)6-5-22-4-2-3-13(11-22)15-20-9-14(21-15)16(17,18)19/h9,12-13H,2-8,10-11H2,1H3,(H,20,21)/t12-,13+/m1/s1.
What are the key properties of (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine?
(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine has a molecular weight of 346.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 124733898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).