(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine

C15H26N4O — CID 125012121

IUPAC(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCCN1CCC(N2CCO[C@H](c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C15H26N4O/c1-3-18-6-4-13(5-7-18)19-8-9-20-14(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyVVEDNEGSXDWPJI-AWEZNQCLSA-N
MW278.40 g/mol
LogP1.58
Rot. Bonds3

About (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine

(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 125012121) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID125012121
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCCN1CCC(N2CCO[C@H](c3ncc(C)[nH]3)C2)CC1
InChIInChI=1S/C15H26N4O/c1-3-18-6-4-13(5-7-18)19-8-9-20-14(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyVVEDNEGSXDWPJI-AWEZNQCLSA-N
XLogP1.58
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(1-methylsulfonylpiperidin-4-yl)morpholine
CID 124948100
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
CID 110105054
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
1-ethyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 90202035
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106480980

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine (CID 125012121) is (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine is CCN1CCC(N2CCO[C@H](c3ncc(C)[nH]3)C2)CC1.
What is the InChIKey of (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is VVEDNEGSXDWPJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-18-6-4-13(5-7-18)19-8-9-20-14(11-19)15-16-10-12(2)17-15/h10,13-14H,3-9,11H2,1-2H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine?
(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 278.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 125012121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).