2-(piperazin-1-ylmethyl)-1H-indol-7-amine

C13H18N4 — CID 117183535

IUPAC2-(piperazin-1-ylmethyl)-1H-indol-7-amine
SMILESNc1cccc2cc(CN3CCNCC3)[nH]c12
InChIInChI=1S/C13H18N4/c14-12-3-1-2-10-8-11(16-13(10)12)9-17-6-4-15-5-7-17/h1-3,8,15-16H,4-7,9,14H2
InChIKeyRXXVBIXOWWJHBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.16
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-1H-indol-7-amine

2-(piperazin-1-ylmethyl)-1H-indol-7-amine (PubChem CID 117183535) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-1H-indol-7-amine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-1H-indol-7-amine
PubChem CID117183535
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(piperazin-1-ylmethyl)-1H-indol-7-amine
SMILESNc1cccc2cc(CN3CCNCC3)[nH]c12
InChIInChI=1S/C13H18N4/c14-12-3-1-2-10-8-11(16-13(10)12)9-17-6-4-15-5-7-17/h1-3,8,15-16H,4-7,9,14H2
InChIKeyRXXVBIXOWWJHBX-UHFFFAOYSA-N
XLogP1.16
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(morpholin-4-ylmethyl)-1H-indol-7-yl]methanamine
CID 117183411
2-(azepan-1-ylmethyl)-1H-indole-7-carboxylic acid
CID 117183848
5-bromo-2-(piperazin-1-ylmethyl)-1H-indole
CID 117176636
2-(propan-2-yloxymethyl)-1H-indol-7-amine
CID 117183754
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
1-[(7-chloro-1-benzofuran-2-yl)methyl]piperazine
CID 115004527
3-[1,3-di(piperazin-1-yl)propyl]benzene-1,2-diamine
CID 70407144
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine
CID 131123786
[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117183148

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-1H-indol-7-amine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-1H-indol-7-amine (CID 117183535) is 2-(piperazin-1-ylmethyl)-1H-indol-7-amine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-1H-indol-7-amine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-1H-indol-7-amine is Nc1cccc2cc(CN3CCNCC3)[nH]c12.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-1H-indol-7-amine?
The InChIKey is RXXVBIXOWWJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-12-3-1-2-10-8-11(16-13(10)12)9-17-6-4-15-5-7-17/h1-3,8,15-16H,4-7,9,14H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-1H-indol-7-amine?
2-(piperazin-1-ylmethyl)-1H-indol-7-amine has a molecular weight of 230.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-1H-indol-7-amine is sourced from PubChem (CID 117183535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).