4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine

C21H30N4O — CID 45227992

IUPAC4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine
SMILESCc1cc(C)c(CN2CCCC(N3CCOCC3)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H30N4O/c1-17-13-18(2)20(21(14-17)25-8-4-6-22-25)16-23-7-3-5-19(15-23)24-9-11-26-12-10-24/h4,6,8,13-14,19H,3,5,7,9-12,15-16H2,1-2H3
InChIKeyQLWPIKPVHCIZOR-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.79
Rot. Bonds4

About 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine

4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine (PubChem CID 45227992) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine
PubChem CID45227992
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine
SMILESCc1cc(C)c(CN2CCCC(N3CCOCC3)C2)c(-n2cccn2)c1
InChIInChI=1S/C21H30N4O/c1-17-13-18(2)20(21(14-17)25-8-4-6-22-25)16-23-7-3-5-19(15-23)24-9-11-26-12-10-24/h4,6,8,13-14,19H,3,5,7,9-12,15-16H2,1-2H3
InChIKeyQLWPIKPVHCIZOR-UHFFFAOYSA-N
XLogP2.79
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine (CID 45227992) is 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine is Cc1cc(C)c(CN2CCCC(N3CCOCC3)C2)c(-n2cccn2)c1.
What is the InChIKey of 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine?
The InChIKey is QLWPIKPVHCIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17-13-18(2)20(21(14-17)25-8-4-6-22-25)16-23-7-3-5-19(15-23)24-9-11-26-12-10-24/h4,6,8,13-14,19H,3,5,7,9-12,15-16H2,1-2H3.
What are the key properties of 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine?
4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine has a molecular weight of 354.50 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45227992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).