(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine

C12H21N3O — CID 59042596

IUPAC(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine
SMILESCC(C)(C)N1CCO[C@@H](Cn2ccnc2)C1
InChIInChI=1S/C12H21N3O/c1-12(2,3)15-6-7-16-11(9-15)8-14-5-4-13-10-14/h4-5,10-11H,6-9H2,1-3H3/t11-/m0/s1
InChIKeyOPUOERXITBVCKB-NSHDSACASA-N
MW223.32 g/mol
LogP1.38
Rot. Bonds2

About (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine

(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine (PubChem CID 59042596) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine
PubChem CID59042596
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine
SMILESCC(C)(C)N1CCO[C@@H](Cn2ccnc2)C1
InChIInChI=1S/C12H21N3O/c1-12(2,3)15-6-7-16-11(9-15)8-14-5-4-13-10-14/h4-5,10-11H,6-9H2,1-3H3/t11-/m0/s1
InChIKeyOPUOERXITBVCKB-NSHDSACASA-N
XLogP1.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(piperidin-1-ylmethyl)morpholine
CID 146520255
4-tert-butyl-2-(3,3-dimethylbutyl)morpholine
CID 170651590
N,N-dimethyl-2-[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]propan-2-amine;N,N-dimethyl-2-[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]propan-2-amine;N,N-dimethyl-2-[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]propan-2-amine;2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2R)-2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 160934941
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
4-(4-tert-butylmorpholin-2-yl)butan-2-one
CID 58441274
2-[4-(2-imidazol-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434098
3-tert-butyl-5-[(2S,3S)-3-(imidazol-1-ylmethyl)oxolan-2-yl]-1,2,4-oxadiazole
CID 128994774
4-tert-butyl-2-(2-piperidin-1-ylpropyl)morpholine
CID 167073041
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
N,N-dimethyl-1-[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]cyclopropan-1-amine;N,N-dimethyl-2-[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]propan-2-amine;2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2R)-2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;(2S)-2-(imidazol-1-ylmethyl)-4-(6-propan-2-yl-3-pyridinyl)morpholine;N-methyl-N-[[(2S)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methyl]cyclopropanamine;N-methyl-N-[[(2R)-4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methyl]cyclopropanamine;N-methyl-N-[[4-(6-propan-2-yl-3-pyridinyl)morpholin-2-yl]methyl]cyclopropanamine
CID 161442328

Frequently Asked Questions

What is the IUPAC name of (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine (CID 59042596) is (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine is CC(C)(C)N1CCO[C@@H](Cn2ccnc2)C1.
What is the InChIKey of (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine?
The InChIKey is OPUOERXITBVCKB-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,3)15-6-7-16-11(9-15)8-14-5-4-13-10-14/h4-5,10-11H,6-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine?
(2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-tert-butyl-2-(imidazol-1-ylmethyl)morpholine is sourced from PubChem (CID 59042596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).