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

C14H21Cl2N3 — CID 171277846

IUPAC6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/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;2*1H/t11-;;/m0../s1
InChIKeyYMEJDNVYUPECHC-IDMXKUIJSA-N
MW302.25 g/mol
LogP2.98
Rot. Bonds2

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

6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (PubChem CID 171277846) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.

Molecular Properties

Compound Name6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
PubChem CID171277846
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
SMILESC[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H19N3.2ClH/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;2*1H/t11-;;/m0../s1
InChIKeyYMEJDNVYUPECHC-IDMXKUIJSA-N
XLogP2.98
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
6-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171277880
6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]-1H-indole
CID 171305318
6-[(1R)-1-piperazin-1-ylpentyl]-1H-indole;dihydrochloride
CID 171307830
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
(3S)-3-(1H-indol-6-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189591
6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277884
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858
6-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171277868
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683
6-[(R)-cyclohexyl(piperazin-1-yl)methyl]-1H-indole
CID 171290490
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The IUPAC name of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride (CID 171277846) is 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride.
What is the SMILES notation for 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The canonical SMILES for 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride is C[C@@H](c1ccc2cc[nH]c2c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
The InChIKey is YMEJDNVYUPECHC-IDMXKUIJSA-N. The full InChI is InChI=1S/C14H19N3.2ClH/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;2*1H/t11-;;/m0../s1.
What are the key properties of 6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride?
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride has a molecular weight of 302.25 g/mol, XLogP of 2.98, 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;dihydrochloride is sourced from PubChem (CID 171277846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).