5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline

C16H21FN4 — CID 75499485

IUPAC5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
SMILESCn1cc(CNc2cc(F)ccc2N2CCCCC2)cn1
InChIInChI=1S/C16H21FN4/c1-20-12-13(11-19-20)10-18-15-9-14(17)5-6-16(15)21-7-3-2-4-8-21/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3
InChIKeyWGBPBVPFYFRUFK-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.16
Rot. Bonds4

About 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline

5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline (PubChem CID 75499485) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
PubChem CID75499485
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
SMILESCn1cc(CNc2cc(F)ccc2N2CCCCC2)cn1
InChIInChI=1S/C16H21FN4/c1-20-12-13(11-19-20)10-18-15-9-14(17)5-6-16(15)21-7-3-2-4-8-21/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3
InChIKeyWGBPBVPFYFRUFK-UHFFFAOYSA-N
XLogP3.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The IUPAC name of 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline (CID 75499485) is 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The canonical SMILES for 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline is Cn1cc(CNc2cc(F)ccc2N2CCCCC2)cn1.
What is the InChIKey of 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The InChIKey is WGBPBVPFYFRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-20-12-13(11-19-20)10-18-15-9-14(17)5-6-16(15)21-7-3-2-4-8-21/h5-6,9,11-12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline has a molecular weight of 288.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 75499485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).