8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole

C16H18N4 — CID 116985884

IUPAC8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
SMILESCN1CCNC(c2ccc3[nH]c4ccncc4c3c2)C1
InChIInChI=1S/C16H18N4/c1-20-7-6-18-16(10-20)11-2-3-14-12(8-11)13-9-17-5-4-15(13)19-14/h2-5,8-9,16,18-19H,6-7,10H2,1H3
InChIKeyVOAVOMMZNYGNOO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.29
Rot. Bonds1

About 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole

8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole (PubChem CID 116985884) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
PubChem CID116985884
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
SMILESCN1CCNC(c2ccc3[nH]c4ccncc4c3c2)C1
InChIInChI=1S/C16H18N4/c1-20-7-6-18-16(10-20)11-2-3-14-12(8-11)13-9-17-5-4-15(13)19-14/h2-5,8-9,16,18-19H,6-7,10H2,1H3
InChIKeyVOAVOMMZNYGNOO-UHFFFAOYSA-N
XLogP2.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 116996596
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CID 131537539
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
4-(4-methylpiperazin-2-yl)-2-methylsulfonylaniline
CID 116998716
4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
CID 116895618
8-(pyrrolidin-3-ylmethyl)-5H-pyrido[4,3-b]indole
CID 116985837
2-(4-methylpiperazin-2-yl)-1,3-oxazole
CID 69278640
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole?
The IUPAC name of 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole (CID 116985884) is 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole is CN1CCNC(c2ccc3[nH]c4ccncc4c3c2)C1.
What is the InChIKey of 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole?
The InChIKey is VOAVOMMZNYGNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-7-6-18-16(10-20)11-2-3-14-12(8-11)13-9-17-5-4-15(13)19-14/h2-5,8-9,16,18-19H,6-7,10H2,1H3.
What are the key properties of 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole?
8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole has a molecular weight of 266.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 116985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).