1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine

C19H31N — CID 22758145

IUPAC1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine
SMILESCN1CCCCC1CCCCC1CCC2=C1CC=CC2
InChIInChI=1S/C19H31N/c1-20-15-7-6-11-18(20)10-4-2-8-16-13-14-17-9-3-5-12-19(16)17/h3,5,16,18H,2,4,6-15H2,1H3
InChIKeyNFKFOTOJRCGZTD-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.09
Rot. Bonds5

About 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine

1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine (PubChem CID 22758145) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine
PubChem CID22758145
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine
SMILESCN1CCCCC1CCCCC1CCC2=C1CC=CC2
InChIInChI=1S/C19H31N/c1-20-15-7-6-11-18(20)10-4-2-8-16-13-14-17-9-3-5-12-19(16)17/h3,5,16,18H,2,4,6-15H2,1H3
InChIKeyNFKFOTOJRCGZTD-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine?
The IUPAC name of 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine (CID 22758145) is 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine.
What is the SMILES notation for 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine?
The canonical SMILES for 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine is CN1CCCCC1CCCCC1CCC2=C1CC=CC2.
What is the InChIKey of 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine?
The InChIKey is NFKFOTOJRCGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-20-15-7-6-11-18(20)10-4-2-8-16-13-14-17-9-3-5-12-19(16)17/h3,5,16,18H,2,4,6-15H2,1H3.
What are the key properties of 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine?
1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(2,3,4,7-tetrahydro-1H-inden-1-yl)butyl]piperidine is sourced from PubChem (CID 22758145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).