4-(1H-indol-3-ylmethyl)morpholine

C13H16N2O — CID 21477

IUPAC4-(1H-indol-3-ylmethyl)morpholine
SMILESc1ccc2c(CN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,9,14H,5-8,10H2
InChIKeyVHGISLOQNDQFIW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds2

About 4-(1H-indol-3-ylmethyl)morpholine

4-(1H-indol-3-ylmethyl)morpholine (PubChem CID 21477) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)morpholine
PubChem CID21477
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(1H-indol-3-ylmethyl)morpholine
SMILESc1ccc2c(CN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,9,14H,5-8,10H2
InChIKeyVHGISLOQNDQFIW-UHFFFAOYSA-N
XLogP2.00
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)morpholine?
The IUPAC name of 4-(1H-indol-3-ylmethyl)morpholine (CID 21477) is 4-(1H-indol-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)morpholine?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)morpholine is c1ccc2c(CN3CCOCC3)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)morpholine?
The InChIKey is VHGISLOQNDQFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15/h1-4,9,14H,5-8,10H2.
What are the key properties of 4-(1H-indol-3-ylmethyl)morpholine?
4-(1H-indol-3-ylmethyl)morpholine has a molecular weight of 216.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)morpholine is sourced from PubChem (CID 21477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).