2-methyl-6-(piperazin-1-ylmethyl)-1H-indole

C14H19N3 — CID 71137798

IUPAC2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1cc2ccc(CN3CCNCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-11-8-13-3-2-12(9-14(13)16-11)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3
InChIKeyVUWHHZGZPMONDR-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole

2-methyl-6-(piperazin-1-ylmethyl)-1H-indole (PubChem CID 71137798) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
PubChem CID71137798
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
SMILESCc1cc2ccc(CN3CCNCC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-11-8-13-3-2-12(9-14(13)16-11)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3
InChIKeyVUWHHZGZPMONDR-UHFFFAOYSA-N
XLogP1.88
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
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1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
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4-methyl-1-[(2-methyl-1H-indol-5-yl)methyl]-1,4-diazepan-5-one
CID 71133335
4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
CID 143658503
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
1-[(4-methyl-3-phenylphenyl)methyl]piperazine
CID 117420356
1-[(6-methylcyclohexa-1,5-dien-1-yl)methyl]piperazine
CID 178009376
1-[(4-methylphenyl)methyl]imidazolidine
CID 118553690
2-methyl-1-(2-methyl-1H-indol-6-yl)propan-2-ol
CID 117204834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole?
The IUPAC name of 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole (CID 71137798) is 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole?
The canonical SMILES for 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole is Cc1cc2ccc(CN3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole?
The InChIKey is VUWHHZGZPMONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-8-13-3-2-12(9-14(13)16-11)10-17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7,10H2,1H3.
What are the key properties of 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole?
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole has a molecular weight of 229.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(piperazin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 71137798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).