2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole

C19H29N3 — CID 170864109

IUPAC2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCc1c(CCCN2CCN(C)CC2)c2ccccc2n1C
InChIInChI=1S/C19H29N3/c1-4-18-16(17-8-5-6-10-19(17)21(18)3)9-7-11-22-14-12-20(2)13-15-22/h5-6,8,10H,4,7,9,11-15H2,1-3H3
InChIKeyRZIBJFPOLNMCEE-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.92
Rot. Bonds5

About 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole

2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864109) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864109
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCc1c(CCCN2CCN(C)CC2)c2ccccc2n1C
InChIInChI=1S/C19H29N3/c1-4-18-16(17-8-5-6-10-19(17)21(18)3)9-7-11-22-14-12-20(2)13-15-22/h5-6,8,10H,4,7,9,11-15H2,1-3H3
InChIKeyRZIBJFPOLNMCEE-UHFFFAOYSA-N
XLogP2.92
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
CID 45095754
1,2-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 95426562
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
CID 170864121
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
CID 170863557
4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864109) is 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole is CCc1c(CCCN2CCN(C)CC2)c2ccccc2n1C.
What is the InChIKey of 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is RZIBJFPOLNMCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-4-18-16(17-8-5-6-10-19(17)21(18)3)9-7-11-22-14-12-20(2)13-15-22/h5-6,8,10H,4,7,9,11-15H2,1-3H3.
What are the key properties of 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 299.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).