1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine

C15H21N3 — CID 117173126

IUPAC1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
SMILESCn1c(CN2CCCCC2)cc2c(N)cccc21
InChIInChI=1S/C15H21N3/c1-17-12(11-18-8-3-2-4-9-18)10-13-14(16)6-5-7-15(13)17/h5-7,10H,2-4,8-9,11,16H2,1H3
InChIKeyHZIMKGUXYMQMSP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.75
Rot. Bonds2

About 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine

1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine (PubChem CID 117173126) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine.

Molecular Properties

Compound Name1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
PubChem CID117173126
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
SMILESCn1c(CN2CCCCC2)cc2c(N)cccc21
InChIInChI=1S/C15H21N3/c1-17-12(11-18-8-3-2-4-9-18)10-13-14(16)6-5-7-15(13)17/h5-7,10H,2-4,8-9,11,16H2,1H3
InChIKeyHZIMKGUXYMQMSP-UHFFFAOYSA-N
XLogP2.75
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine?
The IUPAC name of 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine (CID 117173126) is 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine.
What is the SMILES notation for 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine?
The canonical SMILES for 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine is Cn1c(CN2CCCCC2)cc2c(N)cccc21.
What is the InChIKey of 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine?
The InChIKey is HZIMKGUXYMQMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-12(11-18-8-3-2-4-9-18)10-13-14(16)6-5-7-15(13)17/h5-7,10H,2-4,8-9,11,16H2,1H3.
What are the key properties of 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine?
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine is sourced from PubChem (CID 117173126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).