7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole

C17H25N3 — CID 117186562

IUPAC7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cccc2cc(CN3CCNCC3)n(C(C)C)c12
InChIInChI=1S/C17H25N3/c1-13(2)20-16(12-19-9-7-18-8-10-19)11-15-6-4-5-14(3)17(15)20/h4-6,11,13,18H,7-10,12H2,1-3H3
InChIKeyUZKXONTWNVQMBL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.94
Rot. Bonds3

About 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole

7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole (PubChem CID 117186562) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
PubChem CID117186562
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cccc2cc(CN3CCNCC3)n(C(C)C)c12
InChIInChI=1S/C17H25N3/c1-13(2)20-16(12-19-9-7-18-8-10-19)11-15-6-4-5-14(3)17(15)20/h4-6,11,13,18H,7-10,12H2,1-3H3
InChIKeyUZKXONTWNVQMBL-UHFFFAOYSA-N
XLogP2.94
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The IUPAC name of 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole (CID 117186562) is 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole is Cc1cccc2cc(CN3CCNCC3)n(C(C)C)c12.
What is the InChIKey of 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The InChIKey is UZKXONTWNVQMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-16(12-19-9-7-18-8-10-19)11-15-6-4-5-14(3)17(15)20/h4-6,11,13,18H,7-10,12H2,1-3H3.
What are the key properties of 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole has a molecular weight of 271.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117186562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).