1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine

C14H21FN2O — CID 65101555

IUPAC1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
SMILESCCN1CCCC(N)C1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-17-8-4-5-12(16)14(17)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14H,3-5,8,16H2,1-2H3
InChIKeyORLWSRNDRGMVTA-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.32
Rot. Bonds3

About 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine

1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine (PubChem CID 65101555) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
PubChem CID65101555
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
SMILESCCN1CCCC(N)C1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-3-17-8-4-5-12(16)14(17)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14H,3-5,8,16H2,1-2H3
InChIKeyORLWSRNDRGMVTA-UHFFFAOYSA-N
XLogP2.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine (CID 65101555) is 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine is CCN1CCCC(N)C1c1ccc(OC)c(F)c1.
What is the InChIKey of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine?
The InChIKey is ORLWSRNDRGMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-17-8-4-5-12(16)14(17)10-6-7-13(18-2)11(15)9-10/h6-7,9,12,14H,3-5,8,16H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine?
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 65101555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).