2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline

C16H26N2O — CID 62495233

IUPAC2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
SMILESCCCOC1CCCN(CCc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-2-12-19-15-7-5-10-18(13-15)11-9-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3
InChIKeyZNISJIVDCISOIW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline

2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline (PubChem CID 62495233) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
PubChem CID62495233
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
SMILESCCCOC1CCCN(CCc2ccccc2N)C1
InChIInChI=1S/C16H26N2O/c1-2-12-19-15-7-5-10-18(13-15)11-9-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3
InChIKeyZNISJIVDCISOIW-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-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
2-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64570830
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834260
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine
CID 118768919
N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
CID 91836390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline?
The IUPAC name of 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline (CID 62495233) is 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline is CCCOC1CCCN(CCc2ccccc2N)C1.
What is the InChIKey of 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline?
The InChIKey is ZNISJIVDCISOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-12-19-15-7-5-10-18(13-15)11-9-14-6-3-4-8-16(14)17/h3-4,6,8,15H,2,5,7,9-13,17H2,1H3.
What are the key properties of 2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline?
2-[2-(3-propoxypiperidin-1-yl)ethyl]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-[2-(3-propoxypiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 62495233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).