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

C16H23N3 — CID 3018029

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H23N3/c1-17-11-13-18(14-12-17)8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3
InChIKeyUKRANZASIFTWQM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.28
Rot. Bonds4

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

1-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 3018029) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID3018029
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H23N3/c1-17-11-13-18(14-12-17)8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3
InChIKeyUKRANZASIFTWQM-UHFFFAOYSA-N
XLogP2.28
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylpiperazin-1-yl)methyl]indole
CID 15851967
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528
1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole
CID 90182659
1-(3-indol-1-ylpropyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111341971
1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
CID 22989591
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
1-(3-iodopropyl)indole
CID 11323600
3-indol-1-ylpropan-1-amine
CID 2512786
1-(3-fluoropropyl)indole
CID 81113690
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
1-[(4-ethylpiperazin-1-yl)methyl]indole
CID 142782259
1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
CID 91188508

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 3018029) is 1-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]indole is CN1CCN(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is UKRANZASIFTWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-11-13-18(14-12-17)8-4-9-19-10-7-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 257.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 3018029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).