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

C16H18N4 — CID 11149794

IUPAC1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole
SMILESCN1CCN(c2nccc3c2[nH]c2ccccc23)CC1
InChIInChI=1S/C16H18N4/c1-19-8-10-20(11-9-19)16-15-13(6-7-17-16)12-4-2-3-5-14(12)18-15/h2-7,18H,8-11H2,1H3
InChIKeyWCGBYYXQLCTVMJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.47
Rot. Bonds1

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

1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole (PubChem CID 11149794) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole
PubChem CID11149794
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole
SMILESCN1CCN(c2nccc3c2[nH]c2ccccc23)CC1
InChIInChI=1S/C16H18N4/c1-19-8-10-20(11-9-19)16-15-13(6-7-17-16)12-4-2-3-5-14(12)18-15/h2-7,18H,8-11H2,1H3
InChIKeyWCGBYYXQLCTVMJ-UHFFFAOYSA-N
XLogP2.47
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole (CID 11149794) is 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole is CN1CCN(c2nccc3c2[nH]c2ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is WCGBYYXQLCTVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19-8-10-20(11-9-19)16-15-13(6-7-17-16)12-4-2-3-5-14(12)18-15/h2-7,18H,8-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole?
1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 266.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11149794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).