3-(2-piperazin-1-ylpropan-2-yl)-1H-indole

C15H21N3 — CID 82293905

IUPAC3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
SMILESCC(C)(c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyUCKOONFCJPCTOM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.31
Rot. Bonds2

About 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole

3-(2-piperazin-1-ylpropan-2-yl)-1H-indole (PubChem CID 82293905) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
PubChem CID82293905
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
SMILESCC(C)(c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyUCKOONFCJPCTOM-UHFFFAOYSA-N
XLogP2.31
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)propan-2-amine
CID 18668060
3-piperazin-1-yl-1H-indole
CID 19379845
3-piperazin-1-yl-1H-indole;dihydrochloride
CID 172915789
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole (CID 82293905) is 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole.
What is the SMILES notation for 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The canonical SMILES for 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole is CC(C)(c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
The InChIKey is UCKOONFCJPCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,16-17H,7-10H2,1-2H3.
What are the key properties of 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole?
3-(2-piperazin-1-ylpropan-2-yl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylpropan-2-yl)-1H-indole is sourced from PubChem (CID 82293905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).