2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole

C17H25N3 — CID 117204577

IUPAC2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cc2cc(CN3CCNCC3)ccc2n1C(C)C
InChIInChI=1S/C17H25N3/c1-13(2)20-14(3)10-16-11-15(4-5-17(16)20)12-19-8-6-18-7-9-19/h4-5,10-11,13,18H,6-9,12H2,1-3H3
InChIKeyWKJIUSPXYOYWNI-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.94
Rot. Bonds3

About 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole

2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole (PubChem CID 117204577) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
PubChem CID117204577
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cc2cc(CN3CCNCC3)ccc2n1C(C)C
InChIInChI=1S/C17H25N3/c1-13(2)20-14(3)10-16-11-15(4-5-17(16)20)12-19-8-6-18-7-9-19/h4-5,10-11,13,18H,6-9,12H2,1-3H3
InChIKeyWKJIUSPXYOYWNI-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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Related Compounds

5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
CID 82510622
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
6-(piperazin-1-ylmethyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117436557
3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117203743
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
CID 117484104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole (CID 117204577) is 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole is Cc1cc2cc(CN3CCNCC3)ccc2n1C(C)C.
What is the InChIKey of 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
The InChIKey is WKJIUSPXYOYWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(2)20-14(3)10-16-11-15(4-5-17(16)20)12-19-8-6-18-7-9-19/h4-5,10-11,13,18H,6-9,12H2,1-3H3.
What are the key properties of 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole?
2-methyl-5-(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 2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117204577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).