4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole

C18H27N3 — CID 171307823

IUPAC4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
SMILESCCCCC[C@H](c1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-2-3-4-8-18(21-13-11-19-12-14-21)16-6-5-7-17-15(16)9-10-20-17/h5-7,9-10,18-20H,2-4,8,11-14H2,1H3/t18-/m1/s1
InChIKeyIVXNEUHTGHBVTN-GOSISDBHSA-N
MW285.44 g/mol
LogP3.69
Rot. Bonds6

About 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole

4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole (PubChem CID 171307823) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole.

Molecular Properties

Compound Name4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
PubChem CID171307823
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
SMILESCCCCC[C@H](c1cccc2[nH]ccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-2-3-4-8-18(21-13-11-19-12-14-21)16-6-5-7-17-15(16)9-10-20-17/h5-7,9-10,18-20H,2-4,8,11-14H2,1H3/t18-/m1/s1
InChIKeyIVXNEUHTGHBVTN-GOSISDBHSA-N
XLogP3.69
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
CID 171277795
3-[(1R)-1-piperazin-1-ylhexyl]benzene-1,2-diol;dihydrochloride
CID 171307509
1-[(1S)-1-(2,3-difluorophenyl)hexyl]piperazine
CID 171164132
1-[(1S)-1-pyren-1-ylhexyl]piperazine
CID 171309801
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
2-methyl-6-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309517
4-octan-2-yl-1H-indole
CID 130223302
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole?
The IUPAC name of 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole (CID 171307823) is 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole.
What is the SMILES notation for 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole?
The canonical SMILES for 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole is CCCCC[C@H](c1cccc2[nH]ccc12)N1CCNCC1.
What is the InChIKey of 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole?
The InChIKey is IVXNEUHTGHBVTN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-8-18(21-13-11-19-12-14-21)16-6-5-7-17-15(16)9-10-20-17/h5-7,9-10,18-20H,2-4,8,11-14H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole?
4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole has a molecular weight of 285.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole is sourced from PubChem (CID 171307823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).