[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine

C15H21N3 — CID 82386135

IUPAC[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine
SMILESCn1ccc2cc(C3CCC(CN)CN3)ccc21
InChIInChI=1S/C15H21N3/c1-18-7-6-13-8-12(3-5-15(13)18)14-4-2-11(9-16)10-17-14/h3,5-8,11,14,17H,2,4,9-10,16H2,1H3
InChIKeyQQWLFBHPJNQSRJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.18
Rot. Bonds2

About [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine

[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine (PubChem CID 82386135) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine
PubChem CID82386135
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine
SMILESCn1ccc2cc(C3CCC(CN)CN3)ccc21
InChIInChI=1S/C15H21N3/c1-18-7-6-13-8-12(3-5-15(13)18)14-4-2-11(9-16)10-17-14/h3,5-8,11,14,17H,2,4,9-10,16H2,1H3
InChIKeyQQWLFBHPJNQSRJ-UHFFFAOYSA-N
XLogP2.18
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine?
The IUPAC name of [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine (CID 82386135) is [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine is Cn1ccc2cc(C3CCC(CN)CN3)ccc21.
What is the InChIKey of [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine?
The InChIKey is QQWLFBHPJNQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-7-6-13-8-12(3-5-15(13)18)14-4-2-11(9-16)10-17-14/h3,5-8,11,14,17H,2,4,9-10,16H2,1H3.
What are the key properties of [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine?
[6-(1-methylindol-5-yl)piperidin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylindol-5-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82386135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).