1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole

C19H23N3 — CID 144721935

IUPAC1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCN3CCCCC3)c12
InChIInChI=1S/C19H23N3/c1-15-19-17(9-10-20-15)16-7-3-4-8-18(16)22(19)14-13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-14H2,1H3
InChIKeyAGUAXJXYFRVDDT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.98
Rot. Bonds3

About 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole

1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole (PubChem CID 144721935) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
PubChem CID144721935
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole
SMILESCc1nccc2c3ccccc3n(CCN3CCCCC3)c12
InChIInChI=1S/C19H23N3/c1-15-19-17(9-10-20-15)16-7-3-4-8-18(16)22(19)14-13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-14H2,1H3
InChIKeyAGUAXJXYFRVDDT-UHFFFAOYSA-N
XLogP3.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole (CID 144721935) is 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole is Cc1nccc2c3ccccc3n(CCN3CCCCC3)c12.
What is the InChIKey of 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole?
The InChIKey is AGUAXJXYFRVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-15-19-17(9-10-20-15)16-7-3-4-8-18(16)22(19)14-13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-14H2,1H3.
What are the key properties of 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole?
1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole has a molecular weight of 293.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-piperidin-1-ylethyl)pyrido[3,4-b]indole is sourced from PubChem (CID 144721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).