2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline

C16H26N2O — CID 114592202

IUPAC2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CC(C)C(C)N(CCOc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-12-10-13(2)14(3)18(11-12)8-9-19-16-7-5-4-6-15(16)17/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyXSJGMASILJKBBI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds4

About 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline

2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline (PubChem CID 114592202) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
PubChem CID114592202
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CC(C)C(C)N(CCOc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-12-10-13(2)14(3)18(11-12)8-9-19-16-7-5-4-6-15(16)17/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyXSJGMASILJKBBI-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
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

1-(2-Methoxyphenyl)piperazine
CID 1346
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Phenoxyphenyl)piperazine
CID 12996705
1-(2-Butoxyphenyl)piperazine
CID 14479837
2-(1-piperidyl)ethyl N-(2-ethoxyphenyl)carbamate
CID 41585
4-(2-Piperidin-1-yl-ethoxy)-phenylamine
CID 3016025
(2-Isobutoxyphenyl)amine
CID 13654662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline (CID 114592202) is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline is CC1CC(C)C(C)N(CCOc2ccccc2N)C1.
What is the InChIKey of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline?
The InChIKey is XSJGMASILJKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-13(2)14(3)18(11-12)8-9-19-16-7-5-4-6-15(16)17/h4-7,12-14H,8-11,17H2,1-3H3.
What are the key properties of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline?
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 114592202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).