4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine

C18H24N4S — CID 56857071

IUPAC4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine
SMILESc1cnn(-c2ccc(N3CCC(N4CCSCC4)CC3)cc2)c1
InChIInChI=1S/C18H24N4S/c1-8-19-22(9-1)18-4-2-16(3-5-18)20-10-6-17(7-11-20)21-12-14-23-15-13-21/h1-5,8-9,17H,6-7,10-15H2
InChIKeyDWIBCHKKZQNERJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.89
Rot. Bonds3

About 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine

4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine (PubChem CID 56857071) has the molecular formula C18H24N4S and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine
PubChem CID56857071
Molecular FormulaC18H24N4S
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine
SMILESc1cnn(-c2ccc(N3CCC(N4CCSCC4)CC3)cc2)c1
InChIInChI=1S/C18H24N4S/c1-8-19-22(9-1)18-4-2-16(3-5-18)20-10-6-17(7-11-20)21-12-14-23-15-13-21/h1-5,8-9,17H,6-7,10-15H2
InChIKeyDWIBCHKKZQNERJ-UHFFFAOYSA-N
XLogP2.89
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine (CID 56857071) is 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine is c1cnn(-c2ccc(N3CCC(N4CCSCC4)CC3)cc2)c1.
What is the InChIKey of 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine?
The InChIKey is DWIBCHKKZQNERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-8-19-22(9-1)18-4-2-16(3-5-18)20-10-6-17(7-11-20)21-12-14-23-15-13-21/h1-5,8-9,17H,6-7,10-15H2.
What are the key properties of 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine?
4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine has a molecular weight of 328.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-pyrazol-1-ylphenyl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 56857071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).