3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole

C16H23N3 — CID 171285016

IUPAC3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
SMILESCCC[C@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C16H23N3/c1-2-5-16(19-10-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3/t16-/m1/s1
InChIKeyTXGXQZJEBCNTJO-MRXNPFEDSA-N
MW257.38 g/mol
LogP2.91
Rot. Bonds4

About 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole

3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole (PubChem CID 171285016) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole.

Molecular Properties

Compound Name3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
PubChem CID171285016
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
SMILESCCC[C@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C16H23N3/c1-2-5-16(19-10-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3/t16-/m1/s1
InChIKeyTXGXQZJEBCNTJO-MRXNPFEDSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
CID 171307823
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
5-bromo-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole;dihydrochloride
CID 171307876
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole?
The IUPAC name of 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole (CID 171285016) is 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole.
What is the SMILES notation for 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole?
The canonical SMILES for 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole is CCC[C@H](c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole?
The InChIKey is TXGXQZJEBCNTJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-5-16(19-10-8-17-9-11-19)14-12-18-15-7-4-3-6-13(14)15/h3-4,6-7,12,16-18H,2,5,8-11H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole?
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole is sourced from PubChem (CID 171285016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).