(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine

C15H26N4O — CID 125016684

IUPAC(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCc1cn(C)c([C@@H]2CN(C3CCN(C)CC3)CCO2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-18(3)15(16-12)14-11-19(8-9-20-14)13-4-6-17(2)7-5-13/h10,13-14H,4-9,11H2,1-3H3/t14-/m0/s1
InChIKeyXCBANDSTHPJNOF-AWEZNQCLSA-N
MW278.40 g/mol
LogP1.20
Rot. Bonds2

About (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine

(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (PubChem CID 125016684) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
PubChem CID125016684
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine
SMILESCc1cn(C)c([C@@H]2CN(C3CCN(C)CC3)CCO2)n1
InChIInChI=1S/C15H26N4O/c1-12-10-18(3)15(16-12)14-11-19(8-9-20-14)13-4-6-17(2)7-5-13/h10,13-14H,4-9,11H2,1-3H3/t14-/m0/s1
InChIKeyXCBANDSTHPJNOF-AWEZNQCLSA-N
XLogP1.20
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The IUPAC name of (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine (CID 125016684) is (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine is Cc1cn(C)c([C@@H]2CN(C3CCN(C)CC3)CCO2)n1.
What is the InChIKey of (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
The InChIKey is XCBANDSTHPJNOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-10-18(3)15(16-12)14-11-19(8-9-20-14)13-4-6-17(2)7-5-13/h10,13-14H,4-9,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine?
(2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine has a molecular weight of 278.40 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,4-dimethylimidazol-2-yl)-4-(1-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 125016684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).