2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole

C17H25N3 — CID 95433688

IUPAC2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole
SMILESCc1[nH]c2ccc(C(C)C)cc2c1CN1CCNCC1
InChIInChI=1S/C17H25N3/c1-12(2)14-4-5-17-15(10-14)16(13(3)19-17)11-20-8-6-18-7-9-20/h4-5,10,12,18-19H,6-9,11H2,1-3H3
InChIKeyAKTBUGYADDXBNW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole

2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole (PubChem CID 95433688) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole
PubChem CID95433688
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole
SMILESCc1[nH]c2ccc(C(C)C)cc2c1CN1CCNCC1
InChIInChI=1S/C17H25N3/c1-12(2)14-4-5-17-15(10-14)16(13(3)19-17)11-20-8-6-18-7-9-20/h4-5,10,12,18-19H,6-9,11H2,1-3H3
InChIKeyAKTBUGYADDXBNW-UHFFFAOYSA-N
XLogP3.00
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
1-[(2-methyl-5-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82498363
1-[[3-(3-propan-2-ylphenyl)triazol-4-yl]methyl]piperazine
CID 56772155
2-methyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82279050
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
2-[(2-methyl-1H-indol-3-yl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 171687135
1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
5-ethyl-3-methyl-2-(piperazin-1-ylmethyl)-1H-indole
CID 84636727
1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278466
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 2240733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole?
The IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole (CID 95433688) is 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole.
What is the SMILES notation for 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole?
The canonical SMILES for 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole is Cc1[nH]c2ccc(C(C)C)cc2c1CN1CCNCC1.
What is the InChIKey of 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole?
The InChIKey is AKTBUGYADDXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)14-4-5-17-15(10-14)16(13(3)19-17)11-20-8-6-18-7-9-20/h4-5,10,12,18-19H,6-9,11H2,1-3H3.
What are the key properties of 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole?
2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole has a molecular weight of 271.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperazin-1-ylmethyl)-5-propan-2-yl-1H-indole is sourced from PubChem (CID 95433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).