2-(3-phenylmethoxypiperidin-1-yl)aniline

C18H22N2O — CID 172691855

IUPAC2-(3-phenylmethoxypiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c19-17-10-4-5-11-18(17)20-12-6-9-16(13-20)21-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14,19H2
InChIKeyBUAMCCCXKAOVAA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds4

About 2-(3-phenylmethoxypiperidin-1-yl)aniline

2-(3-phenylmethoxypiperidin-1-yl)aniline (PubChem CID 172691855) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-phenylmethoxypiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-(3-phenylmethoxypiperidin-1-yl)aniline
PubChem CID172691855
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(3-phenylmethoxypiperidin-1-yl)aniline
SMILESNc1ccccc1N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H22N2O/c19-17-10-4-5-11-18(17)20-12-6-9-16(13-20)21-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14,19H2
InChIKeyBUAMCCCXKAOVAA-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
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-nitrophenyl)-3-phenylmethoxypiperidine
CID 166130248
2-methyl-6-(3-phenylmethoxypiperidin-1-yl)pyrimidin-4-amine
CID 72915583
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
2-(3-phenylpiperidin-1-yl)aniline
CID 166583741
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
3-[(4-chlorophenyl)methoxy]-1-(4-phenylphenyl)piperidine
CID 174433975
azane;cyclopentyloxymethylbenzene
CID 69411306
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
2-(3-ethoxypiperidin-1-yl)benzaldehyde
CID 54990320
2-[2-(3-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 63787234
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
benzyl 1-(2-methoxycarbonylphenyl)piperidine-3-carboxylate
CID 58992661

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypiperidin-1-yl)aniline?
The IUPAC name of 2-(3-phenylmethoxypiperidin-1-yl)aniline (CID 172691855) is 2-(3-phenylmethoxypiperidin-1-yl)aniline.
What is the SMILES notation for 2-(3-phenylmethoxypiperidin-1-yl)aniline?
The canonical SMILES for 2-(3-phenylmethoxypiperidin-1-yl)aniline is Nc1ccccc1N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 2-(3-phenylmethoxypiperidin-1-yl)aniline?
The InChIKey is BUAMCCCXKAOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-17-10-4-5-11-18(17)20-12-6-9-16(13-20)21-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14,19H2.
What are the key properties of 2-(3-phenylmethoxypiperidin-1-yl)aniline?
2-(3-phenylmethoxypiperidin-1-yl)aniline has a molecular weight of 282.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypiperidin-1-yl)aniline is sourced from PubChem (CID 172691855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).