(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine

C15H22N2O2 — CID 16742169

IUPAC(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
SMILESc1ccc(CN2CCOC[C@@H]2[C@H]2COCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-4-13(5-3-1)10-17-7-9-19-12-15(17)14-11-18-8-6-16-14/h1-5,14-16H,6-12H2/t14-,15-/m1/s1
InChIKeyJTCKCBBRALHSNE-HUUCEWRRSA-N
MW262.35 g/mol
LogP0.88
Rot. Bonds3

About (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine

(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine (PubChem CID 16742169) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
PubChem CID16742169
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
SMILESc1ccc(CN2CCOC[C@@H]2[C@H]2COCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-4-13(5-3-1)10-17-7-9-19-12-15(17)14-11-18-8-6-16-14/h1-5,14-16H,6-12H2/t14-,15-/m1/s1
InChIKeyJTCKCBBRALHSNE-HUUCEWRRSA-N
XLogP0.88
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine?
The IUPAC name of (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine (CID 16742169) is (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine.
What is the SMILES notation for (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine?
The canonical SMILES for (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine is c1ccc(CN2CCOC[C@@H]2[C@H]2COCCN2)cc1.
What is the InChIKey of (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine?
The InChIKey is JTCKCBBRALHSNE-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-4-13(5-3-1)10-17-7-9-19-12-15(17)14-11-18-8-6-16-14/h1-5,14-16H,6-12H2/t14-,15-/m1/s1.
What are the key properties of (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine?
(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine has a molecular weight of 262.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine is sourced from PubChem (CID 16742169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).