1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole

C18H27N3 — CID 170863995

IUPAC1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCn1ccc2cc(CCCN3CCN(C)CC3)ccc21
InChIInChI=1S/C18H27N3/c1-3-21-10-8-17-15-16(6-7-18(17)21)5-4-9-20-13-11-19(2)12-14-20/h6-8,10,15H,3-5,9,11-14H2,1-2H3
InChIKeyXHFOEKCNPKIPKE-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.84
Rot. Bonds5

About 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole

1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170863995) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170863995
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCCn1ccc2cc(CCCN3CCN(C)CC3)ccc21
InChIInChI=1S/C18H27N3/c1-3-21-10-8-17-15-16(6-7-18(17)21)5-4-9-20-13-11-19(2)12-14-20/h6-8,10,15H,3-5,9,11-14H2,1-2H3
InChIKeyXHFOEKCNPKIPKE-UHFFFAOYSA-N
XLogP2.84
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170863995) is 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole is CCn1ccc2cc(CCCN3CCN(C)CC3)ccc21.
What is the InChIKey of 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is XHFOEKCNPKIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-21-10-8-17-15-16(6-7-18(17)21)5-4-9-20-13-11-19(2)12-14-20/h6-8,10,15H,3-5,9,11-14H2,1-2H3.
What are the key properties of 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 285.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170863995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).