4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

C15H25ClN4O — CID 45215473

IUPAC4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCc1nn(C)c(Cl)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C15H25ClN4O/c1-12-14(15(16)18(2)17-12)11-19-5-3-4-13(10-19)20-6-8-21-9-7-20/h13H,3-11H2,1-2H3
InChIKeyACCCPSGXXYRGAU-UHFFFAOYSA-N
MW312.85 g/mol
LogP1.68
Rot. Bonds3

About 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 45215473) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
PubChem CID45215473
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCc1nn(C)c(Cl)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C15H25ClN4O/c1-12-14(15(16)18(2)17-12)11-19-5-3-4-13(10-19)20-6-8-21-9-7-20/h13H,3-11H2,1-2H3
InChIKeyACCCPSGXXYRGAU-UHFFFAOYSA-N
XLogP1.68
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (CID 45215473) is 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is Cc1nn(C)c(Cl)c1CN1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is ACCCPSGXXYRGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-12-14(15(16)18(2)17-12)11-19-5-3-4-13(10-19)20-6-8-21-9-7-20/h13H,3-11H2,1-2H3.
What are the key properties of 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 312.85 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45215473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).