1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

C16H27F2N5 — CID 138030075

IUPAC1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESCCC(F)(F)CN1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21)
InChIKeyQXBJNJYLXBYBJX-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.04
Rot. Bonds5

About 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine

1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (PubChem CID 138030075) has the molecular formula C16H27F2N5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
PubChem CID138030075
Molecular FormulaC16H27F2N5
Molecular Weight327.42 g/mol
Exact Mass327.22
IUPAC Name1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine
SMILESCCC(F)(F)CN1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21)
InChIKeyQXBJNJYLXBYBJX-UHFFFAOYSA-N
XLogP2.04
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine (CID 138030075) is 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is CCC(F)(F)CN1CCCC(c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
The InChIKey is QXBJNJYLXBYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N5/c1-2-16(17,18)12-22-7-3-4-13(11-22)14-10-15(21-20-14)23-8-5-19-6-9-23/h10,13,19H,2-9,11-12H2,1H3,(H,20,21).
What are the key properties of 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine?
1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine has a molecular weight of 327.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(2,2-difluorobutyl)piperidin-3-yl]-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 138030075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).