(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium

C24H25N2O2+ — CID 8850884

IUPAC(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium
SMILESc1ccc(C[NH+]2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1
InChIInChI=1S/C24H24N2O2/c1-2-6-18(7-3-1)15-26-12-13-27-20(16-26)17-28-19-10-11-22-21-8-4-5-9-23(21)25-24(22)14-19/h1-11,14,20,25H,12-13,15-17H2/p+1/t20-/m1/s1
InChIKeyOBTPBGRQJMCIAX-HXUWFJFHSA-O
MW373.48 g/mol
LogP3.18
Rot. Bonds5

About (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium

(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium (PubChem CID 8850884) has the molecular formula C24H25N2O2+ and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium.

Molecular Properties

Compound Name(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium
PubChem CID8850884
Molecular FormulaC24H25N2O2+
Molecular Weight373.48 g/mol
Exact Mass373.19
IUPAC Name(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium
SMILESc1ccc(C[NH+]2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1
InChIInChI=1S/C24H24N2O2/c1-2-6-18(7-3-1)15-26-12-13-27-20(16-26)17-28-19-10-11-22-21-8-4-5-9-23(21)25-24(22)14-19/h1-11,14,20,25H,12-13,15-17H2/p+1/t20-/m1/s1
InChIKeyOBTPBGRQJMCIAX-HXUWFJFHSA-O
XLogP3.18
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium?
The IUPAC name of (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium (CID 8850884) is (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium.
What is the SMILES notation for (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium?
The canonical SMILES for (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium is c1ccc(C[NH+]2CCO[C@@H](COc3ccc4c(c3)[nH]c3ccccc34)C2)cc1.
What is the InChIKey of (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium?
The InChIKey is OBTPBGRQJMCIAX-HXUWFJFHSA-O. The full InChI is InChI=1S/C24H24N2O2/c1-2-6-18(7-3-1)15-26-12-13-27-20(16-26)17-28-19-10-11-22-21-8-4-5-9-23(21)25-24(22)14-19/h1-11,14,20,25H,12-13,15-17H2/p+1/t20-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium?
(2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium has a molecular weight of 373.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-(9H-carbazol-2-yloxymethyl)morpholin-4-ium is sourced from PubChem (CID 8850884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).