4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine

C11H22N2O — CID 95912485

IUPAC4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H22N2O/c1-10-9-12(2)4-3-11(10)13-5-7-14-8-6-13/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeySXJRQYZJHUATRT-MNOVXSKESA-N
MW198.31 g/mol
LogP0.66
Rot. Bonds1

About 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine

4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine (PubChem CID 95912485) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine
PubChem CID95912485
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine
SMILESC[C@@H]1CN(C)CC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H22N2O/c1-10-9-12(2)4-3-11(10)13-5-7-14-8-6-13/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeySXJRQYZJHUATRT-MNOVXSKESA-N
XLogP0.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine (CID 95912485) is 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine is C[C@@H]1CN(C)CC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine?
The InChIKey is SXJRQYZJHUATRT-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-9-12(2)4-3-11(10)13-5-7-14-8-6-13/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine?
4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-1,3-dimethylpiperidin-4-yl]morpholine is sourced from PubChem (CID 95912485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).