1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole

C16H23N3 — CID 116996446

IUPAC1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
SMILESCc1cc2cc(CC3CNCCN3C)ccc2n1C
InChIInChI=1S/C16H23N3/c1-12-8-14-9-13(4-5-16(14)19(12)3)10-15-11-17-6-7-18(15)2/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3
InChIKeySPFODTUSZSXGKQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.93
Rot. Bonds2

About 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole

1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole (PubChem CID 116996446) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole.

Molecular Properties

Compound Name1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
PubChem CID116996446
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
SMILESCc1cc2cc(CC3CNCCN3C)ccc2n1C
InChIInChI=1S/C16H23N3/c1-12-8-14-9-13(4-5-16(14)19(12)3)10-15-11-17-6-7-18(15)2/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3
InChIKeySPFODTUSZSXGKQ-UHFFFAOYSA-N
XLogP1.93
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
1-methyl-2-(2-naphthalen-2-ylethyl)piperazine
CID 116928404
2-bromo-1,6-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84646607

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole?
The IUPAC name of 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole (CID 116996446) is 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole.
What is the SMILES notation for 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole?
The canonical SMILES for 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole is Cc1cc2cc(CC3CNCCN3C)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole?
The InChIKey is SPFODTUSZSXGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-8-14-9-13(4-5-16(14)19(12)3)10-15-11-17-6-7-18(15)2/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole?
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole has a molecular weight of 257.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole is sourced from PubChem (CID 116996446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).