4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole

C16H19N3 — CID 3656340

IUPAC4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole
SMILESCN1CCN(C2c3ccccc3-n3cccc32)CC1
InChIInChI=1S/C16H19N3/c1-17-9-11-18(12-10-17)16-13-5-2-3-6-14(13)19-8-4-7-15(16)19/h2-8,16H,9-12H2,1H3
InChIKeyGHOWRUFAMROSOW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.13
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole

4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole (PubChem CID 3656340) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole
PubChem CID3656340
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole
SMILESCN1CCN(C2c3ccccc3-n3cccc32)CC1
InChIInChI=1S/C16H19N3/c1-17-9-11-18(12-10-17)16-13-5-2-3-6-14(13)19-8-4-7-15(16)19/h2-8,16H,9-12H2,1H3
InChIKeyGHOWRUFAMROSOW-UHFFFAOYSA-N
XLogP2.13
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole (CID 3656340) is 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole is CN1CCN(C2c3ccccc3-n3cccc32)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole?
The InChIKey is GHOWRUFAMROSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-17-9-11-18(12-10-17)16-13-5-2-3-6-14(13)19-8-4-7-15(16)19/h2-8,16H,9-12H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole?
4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole has a molecular weight of 253.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-4H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 3656340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).