2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline

C18H21FN2O — CID 28803465

IUPAC2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O/c19-15-7-5-14(6-8-15)13-22-16-9-11-21(12-10-16)18-4-2-1-3-17(18)20/h1-8,16H,9-13,20H2
InChIKeyMCMKWCYFCCYJLC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline

2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline (PubChem CID 28803465) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
PubChem CID28803465
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
SMILESNc1ccccc1N1CCC(OCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O/c19-15-7-5-14(6-8-15)13-22-16-9-11-21(12-10-16)18-4-2-1-3-17(18)20/h1-8,16H,9-13,20H2
InChIKeyMCMKWCYFCCYJLC-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.59
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-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188
2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
CID 133422042
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
1-[2-(4-fluorophenyl)sulfanylethyl]-4-phenylmethoxypiperidine
CID 112804427
3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
CID 133422180
4-[(4-fluorophenyl)methoxy]cyclohexan-1-one
CID 58923671
4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
2-[3-(fluoromethyl)pyrrolidin-1-yl]aniline
CID 121201019
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline (CID 28803465) is 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline is Nc1ccccc1N1CCC(OCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline?
The InChIKey is MCMKWCYFCCYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-15-7-5-14(6-8-15)13-22-16-9-11-21(12-10-16)18-4-2-1-3-17(18)20/h1-8,16H,9-13,20H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline?
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline has a molecular weight of 300.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline is sourced from PubChem (CID 28803465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).