(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine

C17H30N4O — CID 71694279

IUPAC(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCN1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C17H30N4O/c1-17(2,3)15-11-18-16(19-15)14-12-22-10-9-21(14)13-5-7-20(4)8-6-13/h11,13-14H,5-10,12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUIAGCHPBLAHSKS-AWEZNQCLSA-N
MW306.45 g/mol
LogP2.17
Rot. Bonds2

About (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (PubChem CID 71694279) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
PubChem CID71694279
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCN1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C17H30N4O/c1-17(2,3)15-11-18-16(19-15)14-12-22-10-9-21(14)13-5-7-20(4)8-6-13/h11,13-14H,5-10,12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUIAGCHPBLAHSKS-AWEZNQCLSA-N
XLogP2.17
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

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-piperidin-4-ylmorpholine
CID 71694291
(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-(1-methylpiperidin-4-yl)morpholine?
The IUPAC name of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (CID 71694279) is (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The canonical SMILES for (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine is CN1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1.
What is the InChIKey of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The InChIKey is UIAGCHPBLAHSKS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4O/c1-17(2,3)15-11-18-16(19-15)14-12-22-10-9-21(14)13-5-7-20(4)8-6-13/h11,13-14H,5-10,12H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine has a molecular weight of 306.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 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-(1-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 71694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).