6-[(1S)-1-piperazin-1-ylethyl]-1H-indole

C14H19N3 — CID 171277845

IUPAC6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
SMILESC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)13-3-2-12-4-5-16-14(12)10-13/h2-5,10-11,15-16H,6-9H2,1H3/t11-/m0/s1
InChIKeyDTFPPNPZUPMPSX-NSHDSACASA-N
MW229.33 g/mol
LogP2.13
Rot. Bonds2

About 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole

6-[(1S)-1-piperazin-1-ylethyl]-1H-indole (PubChem CID 171277845) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole.

Molecular Properties

Compound Name6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
PubChem CID171277845
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
SMILESC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)13-3-2-12-4-5-16-14(12)10-13/h2-5,10-11,15-16H,6-9H2,1H3/t11-/m0/s1
InChIKeyDTFPPNPZUPMPSX-NSHDSACASA-N
XLogP2.13
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318
6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171277880
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189591
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-1H-indole
CID 171290490
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole?
The IUPAC name of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole (CID 171277845) is 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole.
What is the SMILES notation for 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole?
The canonical SMILES for 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole is C[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.
What is the InChIKey of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole?
The InChIKey is DTFPPNPZUPMPSX-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3/c1-11(17-8-6-15-7-9-17)13-3-2-12-4-5-16-14(12)10-13/h2-5,10-11,15-16H,6-9H2,1H3/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole?
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole is sourced from PubChem (CID 171277845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).