1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine

C15H20F2N2O — CID 153340141

IUPAC1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine
SMILESCOc1cc(F)c(C2CN(C3CC3)CCC2N)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-20-10-6-12(16)15(13(17)7-10)11-8-19(9-2-3-9)5-4-14(11)18/h6-7,9,11,14H,2-5,8,18H2,1H3
InChIKeyMUKXWPILXMRQPC-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.25
Rot. Bonds3

About 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine

1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine (PubChem CID 153340141) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine
PubChem CID153340141
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine
SMILESCOc1cc(F)c(C2CN(C3CC3)CCC2N)c(F)c1
InChIInChI=1S/C15H20F2N2O/c1-20-10-6-12(16)15(13(17)7-10)11-8-19(9-2-3-9)5-4-14(11)18/h6-7,9,11,14H,2-5,8,18H2,1H3
InChIKeyMUKXWPILXMRQPC-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine (CID 153340141) is 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine is COc1cc(F)c(C2CN(C3CC3)CCC2N)c(F)c1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine?
The InChIKey is MUKXWPILXMRQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-20-10-6-12(16)15(13(17)7-10)11-8-19(9-2-3-9)5-4-14(11)18/h6-7,9,11,14H,2-5,8,18H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine?
1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine has a molecular weight of 282.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 153340141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).