(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine

C16H28N4O — CID 71694291

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2C2CCNCC2)[nH]1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14-10-18-15(19-14)13-11-21-9-8-20(13)12-4-6-17-7-5-12/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyMGEOLEQNJXJEQH-ZDUSSCGKSA-N
MW292.43 g/mol
LogP1.83
Rot. Bonds2

About (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine (PubChem CID 71694291) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
PubChem CID71694291
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine
SMILESCC(C)(C)c1cnc([C@@H]2COCCN2C2CCNCC2)[nH]1
InChIInChI=1S/C16H28N4O/c1-16(2,3)14-10-18-15(19-14)13-11-21-9-8-20(13)12-4-6-17-7-5-12/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyMGEOLEQNJXJEQH-ZDUSSCGKSA-N
XLogP1.83
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
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
1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone
CID 71694281
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(oxan-4-yl)morpholine
CID 71694283
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclobutylmorpholine
CID 71694297
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclohexylmorpholine
CID 75367192
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
CID 75367195
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(cyclopropylmethyl)morpholine
CID 71694286
2-methyl-4-[2-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 121537123
(2R)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733897
(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733898
(2S)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733899

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine (CID 71694291) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine is CC(C)(C)c1cnc([C@@H]2COCCN2C2CCNCC2)[nH]1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine?
The InChIKey is MGEOLEQNJXJEQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)14-10-18-15(19-14)13-11-21-9-8-20(13)12-4-6-17-7-5-12/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine has a molecular weight of 292.43 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-piperidin-4-ylmorpholine is sourced from PubChem (CID 71694291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).