[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

C17H27FN2 — CID 107113344

IUPAC[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)15-7-9-20(10-8-15)12-14-6-4-5-13(11-19)16(14)18/h4-6,15H,7-12,19H2,1-3H3
InChIKeyRIVYLHYHOZZRNS-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.54
Rot. Bonds3

About [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107113344) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107113344
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)15-7-9-20(10-8-15)12-14-6-4-5-13(11-19)16(14)18/h4-6,15H,7-12,19H2,1-3H3
InChIKeyRIVYLHYHOZZRNS-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107113344) is [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is CC(C)(C)C1CCN(Cc2cccc(CN)c2F)CC1.
What is the InChIKey of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is RIVYLHYHOZZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)15-7-9-20(10-8-15)12-14-6-4-5-13(11-19)16(14)18/h4-6,15H,7-12,19H2,1-3H3.
What are the key properties of [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 278.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).