(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine

C17H27FN2 — CID 63368988

IUPAC(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H27FN2/c1-12(19)16-14(18)6-5-7-15(16)20-10-8-13(9-11-20)17(2,3)4/h5-7,12-13H,8-11,19H2,1-4H3/t12-/m1/s1
InChIKeyWLAGHJVUQSCABI-GFCCVEGCSA-N
MW278.42 g/mol
LogP4.11
Rot. Bonds2

About (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine

(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 63368988) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID63368988
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H27FN2/c1-12(19)16-14(18)6-5-7-15(16)20-10-8-13(9-11-20)17(2,3)4/h5-7,12-13H,8-11,19H2,1-4H3/t12-/m1/s1
InChIKeyWLAGHJVUQSCABI-GFCCVEGCSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine (CID 63368988) is (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is WLAGHJVUQSCABI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27FN2/c1-12(19)16-14(18)6-5-7-15(16)20-10-8-13(9-11-20)17(2,3)4/h5-7,12-13H,8-11,19H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63368988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).