2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline

C16H26N2O — CID 107274331

IUPAC2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
SMILESCCOC1CCN(CCCc2ccccc2N)CC1
InChIInChI=1S/C16H26N2O/c1-2-19-15-9-12-18(13-10-15)11-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3
InChIKeyPWGCXRKCWQOXHM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds6

About 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline

2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline (PubChem CID 107274331) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
PubChem CID107274331
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
SMILESCCOC1CCN(CCCc2ccccc2N)CC1
InChIInChI=1S/C16H26N2O/c1-2-19-15-9-12-18(13-10-15)11-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3
InChIKeyPWGCXRKCWQOXHM-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
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

[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
2-bromo-3-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 114048479
3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 65350223
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
N-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
CID 61216518
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline?
The IUPAC name of 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline (CID 107274331) is 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline.
What is the SMILES notation for 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline?
The canonical SMILES for 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline is CCOC1CCN(CCCc2ccccc2N)CC1.
What is the InChIKey of 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline?
The InChIKey is PWGCXRKCWQOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-15-9-12-18(13-10-15)11-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3.
What are the key properties of 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline?
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 107274331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).