5-(4-propan-2-ylpiperazin-1-yl)-1H-indole

C15H21N3 — CID 22015411

IUPAC5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
SMILESCC(C)N1CCN(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H21N3/c1-12(2)17-7-9-18(10-8-17)14-3-4-15-13(11-14)5-6-16-15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyWVDGJWKVEJAEHX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds2

About 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole

5-(4-propan-2-ylpiperazin-1-yl)-1H-indole (PubChem CID 22015411) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole.

Molecular Properties

Compound Name5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
PubChem CID22015411
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(4-propan-2-ylpiperazin-1-yl)-1H-indole
SMILESCC(C)N1CCN(c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C15H21N3/c1-12(2)17-7-9-18(10-8-17)14-3-4-15-13(11-14)5-6-16-15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyWVDGJWKVEJAEHX-UHFFFAOYSA-N
XLogP2.70
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole?
The IUPAC name of 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole (CID 22015411) is 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole.
What is the SMILES notation for 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole?
The canonical SMILES for 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole is CC(C)N1CCN(c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole?
The InChIKey is WVDGJWKVEJAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)17-7-9-18(10-8-17)14-3-4-15-13(11-14)5-6-16-15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole?
5-(4-propan-2-ylpiperazin-1-yl)-1H-indole has a molecular weight of 243.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 22015411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).