3-(4-piperazin-1-ylbutan-2-yl)-1H-indole

C16H23N3 — CID 82300146

IUPAC3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
SMILESCC(CCN1CCNCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3/c1-13(6-9-19-10-7-17-8-11-19)15-12-18-16-5-3-2-4-14(15)16/h2-5,12-13,17-18H,6-11H2,1H3
InChIKeyAPKLUPQUVXCPID-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole

3-(4-piperazin-1-ylbutan-2-yl)-1H-indole (PubChem CID 82300146) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
PubChem CID82300146
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
SMILESCC(CCN1CCNCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3/c1-13(6-9-19-10-7-17-8-11-19)15-12-18-16-5-3-2-4-14(15)16/h2-5,12-13,17-18H,6-11H2,1H3
InChIKeyAPKLUPQUVXCPID-UHFFFAOYSA-N
XLogP2.57
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
CID 82305689

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole?
The IUPAC name of 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole (CID 82300146) is 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole.
What is the SMILES notation for 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole?
The canonical SMILES for 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole is CC(CCN1CCNCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole?
The InChIKey is APKLUPQUVXCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(6-9-19-10-7-17-8-11-19)15-12-18-16-5-3-2-4-14(15)16/h2-5,12-13,17-18H,6-11H2,1H3.
What are the key properties of 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole?
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperazin-1-ylbutan-2-yl)-1H-indole is sourced from PubChem (CID 82300146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).