[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C19H27FN4O2 — CID 89487906

IUPAC[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccc(F)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H27FN4O2/c20-15-4-5-18(21-14-15)23-8-6-17(7-9-23)26-19(25)24-12-10-22(11-13-24)16-2-1-3-16/h4-5,14,16-17H,1-3,6-13H2
InChIKeyVMSHXZZOKJUKEL-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.50
Rot. Bonds3

About [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 89487906) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID89487906
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESO=C(OC1CCN(c2ccc(F)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C19H27FN4O2/c20-15-4-5-18(21-14-15)23-8-6-17(7-9-23)26-19(25)24-12-10-22(11-13-24)16-2-1-3-16/h4-5,14,16-17H,1-3,6-13H2
InChIKeyVMSHXZZOKJUKEL-UHFFFAOYSA-N
XLogP2.50
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 89487906) is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is O=C(OC1CCN(c2ccc(F)cn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is VMSHXZZOKJUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-15-4-5-18(21-14-15)23-8-6-17(7-9-23)26-19(25)24-12-10-22(11-13-24)16-2-1-3-16/h4-5,14,16-17H,1-3,6-13H2.
What are the key properties of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 89487906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).