3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline

C15H24N2O — CID 170327200

IUPAC3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
SMILESCc1cc(N)ccc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-8-6-14(7-9-17)18-15-5-4-13(16)10-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3
InChIKeyYEYBEBRUGSHTRR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.83
Rot. Bonds3

About 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline

3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline (PubChem CID 170327200) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
PubChem CID170327200
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline
SMILESCc1cc(N)ccc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)17-8-6-14(7-9-17)18-15-5-4-13(16)10-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3
InChIKeyYEYBEBRUGSHTRR-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(1-methylpyrrolidin-3-yl)oxyaniline
CID 171834819
3-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]aniline
CID 68943596
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 166141504
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)aniline;palladium(2+);dihydroxide
CID 173226111
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
(1-propan-2-ylpiperidin-4-yl) 4-amino-2-chlorobenzoate
CID 89085186
4-methyl-3-(4-methylcyclohexyl)oxyaniline
CID 64749048
4-methyl-3-(4-propan-2-ylpiperazin-1-yl)aniline
CID 55091747
(2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propanamide
CID 94199164
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The IUPAC name of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline (CID 170327200) is 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline is Cc1cc(N)ccc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
The InChIKey is YEYBEBRUGSHTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-8-6-14(7-9-17)18-15-5-4-13(16)10-12(15)3/h4-5,10-11,14H,6-9,16H2,1-3H3.
What are the key properties of 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline?
3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 170327200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).