1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole

C21H26N4 — CID 86016149

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(N3CCC(N4CCCCC4)CC3)nccc12
InChIInChI=1S/C21H26N4/c1-4-12-24(13-5-1)16-9-14-25(15-10-16)21-20-18(8-11-22-21)17-6-2-3-7-19(17)23-20/h2-3,6-8,11,16,23H,1,4-5,9-10,12-15H2
InChIKeyRSGIQGJUSWMZGB-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.17
Rot. Bonds2

About 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole

1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole (PubChem CID 86016149) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
PubChem CID86016149
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
SMILESc1ccc2c(c1)[nH]c1c(N3CCC(N4CCCCC4)CC3)nccc12
InChIInChI=1S/C21H26N4/c1-4-12-24(13-5-1)16-9-14-25(15-10-16)21-20-18(8-11-22-21)17-6-2-3-7-19(17)23-20/h2-3,6-8,11,16,23H,1,4-5,9-10,12-15H2
InChIKeyRSGIQGJUSWMZGB-UHFFFAOYSA-N
XLogP4.17
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole (CID 86016149) is 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole is c1ccc2c(c1)[nH]c1c(N3CCC(N4CCCCC4)CC3)nccc12.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is RSGIQGJUSWMZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-4-12-24(13-5-1)16-9-14-25(15-10-16)21-20-18(8-11-22-21)17-6-2-3-7-19(17)23-20/h2-3,6-8,11,16,23H,1,4-5,9-10,12-15H2.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole?
1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 334.47 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 86016149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).