6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole

C17H23N3 — CID 116996596

IUPAC6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCN1CCNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1
InChIInChI=1S/C17H23N3/c1-20-9-8-18-17(11-20)12-6-7-16-14(10-12)13-4-2-3-5-15(13)19-16/h6-7,10,17-19H,2-5,8-9,11H2,1H3
InChIKeyIAEPSKIXTGWNQT-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.62
Rot. Bonds1

About 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole

6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 116996596) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID116996596
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCN1CCNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1
InChIInChI=1S/C17H23N3/c1-20-9-8-18-17(11-20)12-6-7-16-14(10-12)13-4-2-3-5-15(13)19-16/h6-7,10,17-19H,2-5,8-9,11H2,1H3
InChIKeyIAEPSKIXTGWNQT-UHFFFAOYSA-N
XLogP2.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

7-piperidin-2-yl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 117353822
8-(4-methylpiperazin-2-yl)-5H-pyrido[4,3-b]indole
CID 116985884
5-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrrolidine-3-carboxylic acid
CID 117457954
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
8-pyrrolidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117358131
3-(4-methoxy-3-propan-2-ylphenyl)-1-methylpiperazine
CID 82118990
8-piperidin-2-yl-1,3,4,5-tetrahydropyrano[4,3-b]indole
CID 117394556
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 95557304
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole (CID 116996596) is 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole is CN1CCNC(c2ccc3[nH]c4c(c3c2)CCCC4)C1.
What is the InChIKey of 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is IAEPSKIXTGWNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20-9-8-18-17(11-20)12-6-7-16-14(10-12)13-4-2-3-5-15(13)19-16/h6-7,10,17-19H,2-5,8-9,11H2,1H3.
What are the key properties of 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 269.39 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 116996596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).