1-(3-methyl-1H-inden-2-yl)piperidine

C15H19N — CID 21499137

IUPAC1-(3-methyl-1H-inden-2-yl)piperidine
SMILESCC1=C(N2CCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(12)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyGTPHAOXGAVFRKK-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.46
Rot. Bonds1

About 1-(3-methyl-1H-inden-2-yl)piperidine

1-(3-methyl-1H-inden-2-yl)piperidine (PubChem CID 21499137) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-methyl-1H-inden-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-methyl-1H-inden-2-yl)piperidine
PubChem CID21499137
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-(3-methyl-1H-inden-2-yl)piperidine
SMILESCC1=C(N2CCCCC2)Cc2ccccc21
InChIInChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(12)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyGTPHAOXGAVFRKK-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_ene_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1H-inden-2-yl)piperidine?
The IUPAC name of 1-(3-methyl-1H-inden-2-yl)piperidine (CID 21499137) is 1-(3-methyl-1H-inden-2-yl)piperidine.
What is the SMILES notation for 1-(3-methyl-1H-inden-2-yl)piperidine?
The canonical SMILES for 1-(3-methyl-1H-inden-2-yl)piperidine is CC1=C(N2CCCCC2)Cc2ccccc21.
What is the InChIKey of 1-(3-methyl-1H-inden-2-yl)piperidine?
The InChIKey is GTPHAOXGAVFRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-14-8-4-3-7-13(14)11-15(12)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 1-(3-methyl-1H-inden-2-yl)piperidine?
1-(3-methyl-1H-inden-2-yl)piperidine has a molecular weight of 213.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1H-inden-2-yl)piperidine is sourced from PubChem (CID 21499137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).