methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate

C12H16FN3O2 — CID 71922971

IUPACmethyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncccc2F)CC1
InChIInChI=1S/C12H16FN3O2/c1-18-11(17)9-15-5-7-16(8-6-15)12-10(13)3-2-4-14-12/h2-4H,5-9H2,1H3
InChIKeyGOJYVROHVVOWAS-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.52
Rot. Bonds3

About methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate

methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate (PubChem CID 71922971) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
PubChem CID71922971
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Namemethyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ncccc2F)CC1
InChIInChI=1S/C12H16FN3O2/c1-18-11(17)9-15-5-7-16(8-6-15)12-10(13)3-2-4-14-12/h2-4H,5-9H2,1H3
InChIKeyGOJYVROHVVOWAS-UHFFFAOYSA-N
XLogP0.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate (CID 71922971) is methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ncccc2F)CC1.
What is the InChIKey of methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate?
The InChIKey is GOJYVROHVVOWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-18-11(17)9-15-5-7-16(8-6-15)12-10(13)3-2-4-14-12/h2-4H,5-9H2,1H3.
What are the key properties of methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate?
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate has a molecular weight of 253.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate is sourced from PubChem (CID 71922971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).