2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine

C25H41NO — CID 13324386

IUPAC2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine
SMILESCCCCCCCCCN1CCCCC1CC1(C)CCc2ccccc2O1
InChIInChI=1S/C25H41NO/c1-3-4-5-6-7-8-12-19-26-20-13-11-15-23(26)21-25(2)18-17-22-14-9-10-16-24(22)27-25/h9-10,14,16,23H,3-8,11-13,15,17-21H2,1-2H3
InChIKeyMGDCOHPBMCZJMH-UHFFFAOYSA-N
MW371.61 g/mol
LogP6.77
Rot. Bonds10

About 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine

2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine (PubChem CID 13324386) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine.

Molecular Properties

Compound Name2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine
PubChem CID13324386
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Name2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine
SMILESCCCCCCCCCN1CCCCC1CC1(C)CCc2ccccc2O1
InChIInChI=1S/C25H41NO/c1-3-4-5-6-7-8-12-19-26-20-13-11-15-23(26)21-25(2)18-17-22-14-9-10-16-24(22)27-25/h9-10,14,16,23H,3-8,11-13,15,17-21H2,1-2H3
InChIKeyMGDCOHPBMCZJMH-UHFFFAOYSA-N
XLogP6.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine 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 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine?
The IUPAC name of 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine (CID 13324386) is 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine.
What is the SMILES notation for 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine?
The canonical SMILES for 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine is CCCCCCCCCN1CCCCC1CC1(C)CCc2ccccc2O1.
What is the InChIKey of 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine?
The InChIKey is MGDCOHPBMCZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-3-4-5-6-7-8-12-19-26-20-13-11-15-23(26)21-25(2)18-17-22-14-9-10-16-24(22)27-25/h9-10,14,16,23H,3-8,11-13,15,17-21H2,1-2H3.
What are the key properties of 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine?
2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine has a molecular weight of 371.61 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,4-dihydrochromen-2-yl)methyl]-1-nonylpiperidine is sourced from PubChem (CID 13324386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).