2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole

C18H27N3 — CID 170864121

IUPAC2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
SMILESCc1[nH]c2c(C)cccc2c1CCCN1CCN(C)CC1
InChIInChI=1S/C18H27N3/c1-14-6-4-7-17-16(15(2)19-18(14)17)8-5-9-21-12-10-20(3)11-13-21/h4,6-7,19H,5,8-13H2,1-3H3
InChIKeyUVDAYXRNZXOISZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.96
Rot. Bonds4

About 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole

2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole (PubChem CID 170864121) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole.

Molecular Properties

Compound Name2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
PubChem CID170864121
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole
SMILESCc1[nH]c2c(C)cccc2c1CCCN1CCN(C)CC1
InChIInChI=1S/C18H27N3/c1-14-6-4-7-17-16(15(2)19-18(14)17)8-5-9-21-12-10-20(3)11-13-21/h4,6-7,19H,5,8-13H2,1-3H3
InChIKeyUVDAYXRNZXOISZ-UHFFFAOYSA-N
XLogP2.96
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Tryptamine
CID 1150
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole?
The IUPAC name of 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole (CID 170864121) is 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole.
What is the SMILES notation for 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole?
The canonical SMILES for 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole is Cc1[nH]c2c(C)cccc2c1CCCN1CCN(C)CC1.
What is the InChIKey of 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole?
The InChIKey is UVDAYXRNZXOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-6-4-7-17-16(15(2)19-18(14)17)8-5-9-21-12-10-20(3)11-13-21/h4,6-7,19H,5,8-13H2,1-3H3.
What are the key properties of 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole?
2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole has a molecular weight of 285.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole is sourced from PubChem (CID 170864121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).