4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine

C12H20N4O — CID 126655288

IUPAC4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine
SMILESc1cc(N2CCC(N3CCOCC3)CC2)[nH]n1
InChIInChI=1S/C12H20N4O/c1-4-13-14-12(1)16-5-2-11(3-6-16)15-7-9-17-10-8-15/h1,4,11H,2-3,5-10H2,(H,13,14)
InChIKeyNCBHYRBAQDDIQU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.71
Rot. Bonds2

About 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine

4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine (PubChem CID 126655288) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine
PubChem CID126655288
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine
SMILESc1cc(N2CCC(N3CCOCC3)CC2)[nH]n1
InChIInChI=1S/C12H20N4O/c1-4-13-14-12(1)16-5-2-11(3-6-16)15-7-9-17-10-8-15/h1,4,11H,2-3,5-10H2,(H,13,14)
InChIKeyNCBHYRBAQDDIQU-UHFFFAOYSA-N
XLogP0.71
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine (CID 126655288) is 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine is c1cc(N2CCC(N3CCOCC3)CC2)[nH]n1.
What is the InChIKey of 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine?
The InChIKey is NCBHYRBAQDDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-13-14-12(1)16-5-2-11(3-6-16)15-7-9-17-10-8-15/h1,4,11H,2-3,5-10H2,(H,13,14).
What are the key properties of 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine?
4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine has a molecular weight of 236.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-pyrazol-5-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 126655288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).