1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine

C16H25FN2O — CID 65202409

IUPAC1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCC(C)CCOc1ccc(N2CCC(N)CC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)7-10-20-14-3-4-16(15(17)11-14)19-8-5-13(18)6-9-19/h3-4,11-13H,5-10,18H2,1-2H3
InChIKeyWZQZUWQSARSIKZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine

1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine (PubChem CID 65202409) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
PubChem CID65202409
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCC(C)CCOc1ccc(N2CCC(N)CC2)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)7-10-20-14-3-4-16(15(17)11-14)19-8-5-13(18)6-9-19/h3-4,11-13H,5-10,18H2,1-2H3
InChIKeyWZQZUWQSARSIKZ-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine (CID 65202409) is 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine is CC(C)CCOc1ccc(N2CCC(N)CC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The InChIKey is WZQZUWQSARSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)7-10-20-14-3-4-16(15(17)11-14)19-8-5-13(18)6-9-19/h3-4,11-13H,5-10,18H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine has a molecular weight of 280.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 65202409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).