(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63369022
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 115560206
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475

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).