1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole

C18H27N3 — CID 82502267

IUPAC1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1ccc(C)c2c1c(CCCN1CCNCC1)cn2C
InChIInChI=1S/C18H27N3/c1-14-6-7-15(2)18-17(14)16(13-20(18)3)5-4-10-21-11-8-19-9-12-21/h6-7,13,19H,4-5,8-12H2,1-3H3
InChIKeyZKSPNHPBANKWCR-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.63
Rot. Bonds4

About 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole

1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole (PubChem CID 82502267) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole.

Molecular Properties

Compound Name1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
PubChem CID82502267
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
SMILESCc1ccc(C)c2c1c(CCCN1CCNCC1)cn2C
InChIInChI=1S/C18H27N3/c1-14-6-7-15(2)18-17(14)16(13-20(18)3)5-4-10-21-11-8-19-9-12-21/h6-7,13,19H,4-5,8-12H2,1-3H3
InChIKeyZKSPNHPBANKWCR-UHFFFAOYSA-N
XLogP2.63
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,7-dimethyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetic acid
CID 83947579
7-fluoro-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 95432844
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
1,6-dimethyl-3-(2-piperazin-1-ylethyl)indole-7-carboxylic acid
CID 83948015
7-ethyl-1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83947882
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
1-[3-(2-methyl-5-propan-2-ylphenyl)propyl]-1,4-diazepane
CID 96669887
1-[3-(2-bromo-4-methylphenyl)propyl]piperazine
CID 82308191
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
1-methyl-3-(3-piperazin-1-ylpropyl)indole-5-carboxylic acid
CID 83946944

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole?
The IUPAC name of 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole (CID 82502267) is 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole.
What is the SMILES notation for 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole?
The canonical SMILES for 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole is Cc1ccc(C)c2c1c(CCCN1CCNCC1)cn2C.
What is the InChIKey of 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole?
The InChIKey is ZKSPNHPBANKWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-6-7-15(2)18-17(14)16(13-20(18)3)5-4-10-21-11-8-19-9-12-21/h6-7,13,19H,4-5,8-12H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole?
1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole has a molecular weight of 285.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole is sourced from PubChem (CID 82502267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).