4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine

C19H21N3O — CID 729468

IUPAC4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
SMILESCc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C19H21N3O/c1-14-18(16-4-2-3-5-17(16)21-14)19(15-6-8-20-9-7-15)22-10-12-23-13-11-22/h2-9,19,21H,10-13H2,1H3/t19-/m0/s1
InChIKeyOTZHIQOGDANTHW-IBGZPJMESA-N
MW307.40 g/mol
LogP3.29
Rot. Bonds3

About 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine

4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine (PubChem CID 729468) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
PubChem CID729468
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
SMILESCc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCOCC1
InChIInChI=1S/C19H21N3O/c1-14-18(16-4-2-3-5-17(16)21-14)19(15-6-8-20-9-7-15)22-10-12-23-13-11-22/h2-9,19,21H,10-13H2,1H3/t19-/m0/s1
InChIKeyOTZHIQOGDANTHW-IBGZPJMESA-N
XLogP3.29
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 830462
4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
CID 696739
4-[2-methyl-1-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 134844207
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
3-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]-2-methyl-1H-indole
CID 3509123
4-[(4-fluorophenyl)-(2-phenyl-1H-indol-3-yl)methyl]morpholine
CID 134467375
3-[(4-ethylphenyl)-(4-methylpiperazin-1-yl)methyl]-2-methyl-1H-indole
CID 110453369
ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
CID 71490363
2-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]-1H-indole
CID 7024265
2-methyl-3-[(S)-(4-phenylpiperazin-1-yl)-thiophen-2-ylmethyl]-1H-indole
CID 1251311
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1403996

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine?
The IUPAC name of 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine (CID 729468) is 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine is Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCOCC1.
What is the InChIKey of 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine?
The InChIKey is OTZHIQOGDANTHW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-18(16-4-2-3-5-17(16)21-14)19(15-6-8-20-9-7-15)22-10-12-23-13-11-22/h2-9,19,21H,10-13H2,1H3/t19-/m0/s1.
What are the key properties of 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine?
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine has a molecular weight of 307.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine is sourced from PubChem (CID 729468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).