3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole

C15H21N3 — CID 95456258

IUPAC3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,15-17H,2,7-10H2,1H3/t15-/m0/s1
InChIKeyUEZUFSCKOMRSOG-HNNXBMFYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds3

About 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole

3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole (PubChem CID 95456258) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole.

Molecular Properties

Compound Name3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
PubChem CID95456258
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,15-17H,2,7-10H2,1H3/t15-/m0/s1
InChIKeyUEZUFSCKOMRSOG-HNNXBMFYSA-N
XLogP2.52
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
1-[(1R)-1-(2-methylphenyl)propyl]piperazine
CID 92754595

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The IUPAC name of 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole (CID 95456258) is 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole.
What is the SMILES notation for 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The canonical SMILES for 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole is CC[C@@H](c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The InChIKey is UEZUFSCKOMRSOG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-15(18-9-7-16-8-10-18)13-11-17-14-6-4-3-5-12(13)14/h3-6,11,15-17H,2,7-10H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole is sourced from PubChem (CID 95456258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).