[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol

C16H23FN2O2 — CID 129284480

IUPAC[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
SMILESCC1(C)Cc2cc(N)c(N3CCC(F)(CO)CC3)cc2O1
InChIInChI=1S/C16H23FN2O2/c1-15(2)9-11-7-12(18)13(8-14(11)21-15)19-5-3-16(17,10-20)4-6-19/h7-8,20H,3-6,9-10,18H2,1-2H3
InChIKeyLSYZFCYMRKUESB-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.28
Rot. Bonds2

About [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol

[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol (PubChem CID 129284480) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
PubChem CID129284480
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol
SMILESCC1(C)Cc2cc(N)c(N3CCC(F)(CO)CC3)cc2O1
InChIInChI=1S/C16H23FN2O2/c1-15(2)9-11-7-12(18)13(8-14(11)21-15)19-5-3-16(17,10-20)4-6-19/h7-8,20H,3-6,9-10,18H2,1-2H3
InChIKeyLSYZFCYMRKUESB-UHFFFAOYSA-N
XLogP2.28
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol?
The IUPAC name of [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol (CID 129284480) is [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol is CC1(C)Cc2cc(N)c(N3CCC(F)(CO)CC3)cc2O1.
What is the InChIKey of [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol?
The InChIKey is LSYZFCYMRKUESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(2)9-11-7-12(18)13(8-14(11)21-15)19-5-3-16(17,10-20)4-6-19/h7-8,20H,3-6,9-10,18H2,1-2H3.
What are the key properties of [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol?
[1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol has a molecular weight of 294.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2,2-dimethyl-3H-1-benzofuran-6-yl)-4-fluoropiperidin-4-yl]methanol is sourced from PubChem (CID 129284480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).