1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole

C19H27N3O — CID 171291370

IUPAC1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
SMILESCn1cc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c1-21-14-17(16-4-2-3-5-18(16)21)19(15-6-12-23-13-7-15)22-10-8-20-9-11-22/h2-5,14-15,19-20H,6-13H2,1H3/t19-/m1/s1
InChIKeyJEWORLJJEWAYPV-LJQANCHMSA-N
MW313.44 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole

1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole (PubChem CID 171291370) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
PubChem CID171291370
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
SMILESCn1cc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc21
InChIInChI=1S/C19H27N3O/c1-21-14-17(16-4-2-3-5-18(16)21)19(15-6-12-23-13-7-15)22-10-8-20-9-11-22/h2-5,14-15,19-20H,6-13H2,1H3/t19-/m1/s1
InChIKeyJEWORLJJEWAYPV-LJQANCHMSA-N
XLogP2.55
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(S)-cyclopropyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278738
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole
CID 171278741
3-[(S)-cyclohexyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278742
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171292440
1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171281433
1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
1-[(S)-(2,3-difluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280426
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole?
The IUPAC name of 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole (CID 171291370) is 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole?
The canonical SMILES for 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole is Cn1cc([C@@H](C2CCOCC2)N2CCNCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole?
The InChIKey is JEWORLJJEWAYPV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-14-17(16-4-2-3-5-18(16)21)19(15-6-12-23-13-7-15)22-10-8-20-9-11-22/h2-5,14-15,19-20H,6-13H2,1H3/t19-/m1/s1.
What are the key properties of 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole?
1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole has a molecular weight of 313.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole is sourced from PubChem (CID 171291370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).