2-methyl-4-(3-piperidin-1-ylpropoxy)aniline

C15H24N2O — CID 39351364

IUPAC2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCc1cc(OCCCN2CCCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-13-12-14(6-7-15(13)16)18-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyZVFQUCIBEHQZBQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline

2-methyl-4-(3-piperidin-1-ylpropoxy)aniline (PubChem CID 39351364) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
PubChem CID39351364
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
SMILESCc1cc(OCCCN2CCCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-13-12-14(6-7-15(13)16)18-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3
InChIKeyZVFQUCIBEHQZBQ-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dihydropyrrol-1-yl)propoxy]-2-methylaniline
CID 58962402
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
ethane;1-[3-(3-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 142047773
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 82162790
2-ethyl-N-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 142876314
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-methyl-4-(2-piperidin-1-ylethylsulfanyl)aniline
CID 79148741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The IUPAC name of 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline (CID 39351364) is 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline.
What is the SMILES notation for 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The canonical SMILES for 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline is Cc1cc(OCCCN2CCCCC2)ccc1N.
What is the InChIKey of 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
The InChIKey is ZVFQUCIBEHQZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-12-14(6-7-15(13)16)18-11-5-10-17-8-3-2-4-9-17/h6-7,12H,2-5,8-11,16H2,1H3.
What are the key properties of 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline?
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-1-ylpropoxy)aniline is sourced from PubChem (CID 39351364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).