1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine

C13H20FN3 — CID 126752862

IUPAC1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyDQZSQPIWERBBGK-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine

1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 126752862) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
PubChem CID126752862
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(Cc2ncccc2F)CC1
InChIInChI=1S/C13H20FN3/c1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3
InChIKeyDQZSQPIWERBBGK-UHFFFAOYSA-N
XLogP1.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine (CID 126752862) is 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(Cc2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is DQZSQPIWERBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-11(2)17-8-6-16(7-9-17)10-13-12(14)4-3-5-15-13/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine?
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 237.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 126752862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).