3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine

C19H26FN5O — CID 156900308

IUPAC3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine
SMILESNc1ccc(C2CC(c3cnn(C4CCOCC4)c3)CNC2N)c(F)c1
InChIInChI=1S/C19H26FN5O/c20-18-8-14(21)1-2-16(18)17-7-12(9-23-19(17)22)13-10-24-25(11-13)15-3-5-26-6-4-15/h1-2,8,10-12,15,17,19,23H,3-7,9,21-22H2
InChIKeyDVKZQYREBMOGLI-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.10
Rot. Bonds3

About 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine

3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine (PubChem CID 156900308) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine
PubChem CID156900308
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine
SMILESNc1ccc(C2CC(c3cnn(C4CCOCC4)c3)CNC2N)c(F)c1
InChIInChI=1S/C19H26FN5O/c20-18-8-14(21)1-2-16(18)17-7-12(9-23-19(17)22)13-10-24-25(11-13)15-3-5-26-6-4-15/h1-2,8,10-12,15,17,19,23H,3-7,9,21-22H2
InChIKeyDVKZQYREBMOGLI-UHFFFAOYSA-N
XLogP2.10
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine?
The IUPAC name of 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine (CID 156900308) is 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine is Nc1ccc(C2CC(c3cnn(C4CCOCC4)c3)CNC2N)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine?
The InChIKey is DVKZQYREBMOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c20-18-8-14(21)1-2-16(18)17-7-12(9-23-19(17)22)13-10-24-25(11-13)15-3-5-26-6-4-15/h1-2,8,10-12,15,17,19,23H,3-7,9,21-22H2.
What are the key properties of 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine?
3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine has a molecular weight of 359.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)-5-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-2-amine is sourced from PubChem (CID 156900308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).