3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole

C18H27N3 — CID 171310601

IUPAC3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
SMILESCC(C)CC[C@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-14(2)7-8-18(21-11-9-19-10-12-21)16-13-20-17-6-4-3-5-15(16)17/h3-6,13-14,18-20H,7-12H2,1-2H3/t18-/m1/s1
InChIKeyHXDGSVFMZNDVSZ-GOSISDBHSA-N
MW285.44 g/mol
LogP3.55
Rot. Bonds5

About 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole

3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole (PubChem CID 171310601) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole.

Molecular Properties

Compound Name3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
PubChem CID171310601
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
SMILESCC(C)CC[C@H](c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C18H27N3/c1-14(2)7-8-18(21-11-9-19-10-12-21)16-13-20-17-6-4-3-5-15(16)17/h3-6,13-14,18-20H,7-12H2,1-2H3/t18-/m1/s1
InChIKeyHXDGSVFMZNDVSZ-GOSISDBHSA-N
XLogP3.55
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
5-bromo-3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310197
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
CID 82264006
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The IUPAC name of 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole (CID 171310601) is 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole.
What is the SMILES notation for 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The canonical SMILES for 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole is CC(C)CC[C@H](c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
The InChIKey is HXDGSVFMZNDVSZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)7-8-18(21-11-9-19-10-12-21)16-13-20-17-6-4-3-5-15(16)17/h3-6,13-14,18-20H,7-12H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole?
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole has a molecular weight of 285.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole is sourced from PubChem (CID 171310601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).