(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine

C15H30N2O3 — CID 100703705

IUPAC(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine
SMILESCOCCO[C@@H]1CCCN(CCN2CCOC[C@@H]2C)C1
InChIInChI=1S/C15H30N2O3/c1-14-13-19-9-8-17(14)7-6-16-5-3-4-15(12-16)20-11-10-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyHPJKTXSHQPUDEL-LSDHHAIUSA-N
MW286.42 g/mol
LogP0.83
Rot. Bonds7

About (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine

(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine (PubChem CID 100703705) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine
PubChem CID100703705
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine
SMILESCOCCO[C@@H]1CCCN(CCN2CCOC[C@@H]2C)C1
InChIInChI=1S/C15H30N2O3/c1-14-13-19-9-8-17(14)7-6-16-5-3-4-15(12-16)20-11-10-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyHPJKTXSHQPUDEL-LSDHHAIUSA-N
XLogP0.83
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine with MolForge

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Related Compounds

(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
CID 59007577
3-methyl-4-(3-piperidin-4-yloxypropyl)morpholine
CID 63905297
(2R)-2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexan-1-amine
CID 71159970
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
2-[2-(3-methylmorpholin-4-yl)ethoxy]ethanamine
CID 79479470
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
N-[2-(3-methylmorpholin-4-yl)ethyl]cyclopropanamine
CID 60840871
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine (CID 100703705) is (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine is COCCO[C@@H]1CCCN(CCN2CCOC[C@@H]2C)C1.
What is the InChIKey of (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine?
The InChIKey is HPJKTXSHQPUDEL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-14-13-19-9-8-17(14)7-6-16-5-3-4-15(12-16)20-11-10-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine?
(3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine has a molecular weight of 286.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]ethyl]-3-methylmorpholine is sourced from PubChem (CID 100703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).