2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline

C17H28N2O — CID 20560104

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(N)c(CCC2CCCCN2C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)20-16-9-10-17(18)14(12-16)7-8-15-6-4-5-11-19(15)3/h9-10,12-13,15H,4-8,11,18H2,1-3H3
InChIKeyLWGUJQSDFKCEPA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline

2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline (PubChem CID 20560104) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
PubChem CID20560104
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(N)c(CCC2CCCCN2C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)20-16-9-10-17(18)14(12-16)7-8-15-6-4-5-11-19(15)3/h9-10,12-13,15H,4-8,11,18H2,1-3H3
InChIKeyLWGUJQSDFKCEPA-UHFFFAOYSA-N
XLogP3.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.47
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

N-methyl-2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560061
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 59861095
[4-benzamido-3-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] acetate
CID 20560025
N-[2-[2-(1-methyl-5-propan-2-ylpiperidin-2-yl)ethyl]-4-propan-2-yloxyphenyl]formamide
CID 20560031
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
(2R)-1-methyl-2-[[(1R)-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102473
(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102733
4-fluoro-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 79148324
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
1-[4-methoxy-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanone
CID 103801800
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline (CID 20560104) is 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline is CC(C)Oc1ccc(N)c(CCC2CCCCN2C)c1.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is LWGUJQSDFKCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)20-16-9-10-17(18)14(12-16)7-8-15-6-4-5-11-19(15)3/h9-10,12-13,15H,4-8,11,18H2,1-3H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline?
2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline has a molecular weight of 276.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 20560104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).