1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine

C14H20FN5 — CID 121433113

IUPAC1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1nccc1C(C1=NCC(F)C=C1)N1CCNCC1
InChIInChI=1S/C14H20FN5/c1-19-13(4-5-18-19)14(20-8-6-16-7-9-20)12-3-2-11(15)10-17-12/h2-5,11,14,16H,6-10H2,1H3
InChIKeyBUVHTMBELIAZCS-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.72
Rot. Bonds3

About 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine

1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine (PubChem CID 121433113) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine
PubChem CID121433113
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine
SMILESCn1nccc1C(C1=NCC(F)C=C1)N1CCNCC1
InChIInChI=1S/C14H20FN5/c1-19-13(4-5-18-19)14(20-8-6-16-7-9-20)12-3-2-11(15)10-17-12/h2-5,11,14,16H,6-10H2,1H3
InChIKeyBUVHTMBELIAZCS-UHFFFAOYSA-N
XLogP0.72
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine (CID 121433113) is 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine is Cn1nccc1C(C1=NCC(F)C=C1)N1CCNCC1.
What is the InChIKey of 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine?
The InChIKey is BUVHTMBELIAZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-19-13(4-5-18-19)14(20-8-6-16-7-9-20)12-3-2-11(15)10-17-12/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine?
1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine has a molecular weight of 277.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2,3-dihydropyridin-6-yl)-(2-methylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 121433113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).