4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine

C19H32N4O — CID 45230866

IUPAC4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESc1n[nH]c(C2CCCCC2)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C19H32N4O/c1-2-5-16(6-3-1)19-17(13-20-21-19)14-22-8-4-7-18(15-22)23-9-11-24-12-10-23/h13,16,18H,1-12,14-15H2,(H,20,21)
InChIKeyBWPWUVGEPLSJLD-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.75
Rot. Bonds4

About 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine

4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 45230866) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine
PubChem CID45230866
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESc1n[nH]c(C2CCCCC2)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C19H32N4O/c1-2-5-16(6-3-1)19-17(13-20-21-19)14-22-8-4-7-18(15-22)23-9-11-24-12-10-23/h13,16,18H,1-12,14-15H2,(H,20,21)
InChIKeyBWPWUVGEPLSJLD-UHFFFAOYSA-N
XLogP2.75
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine (CID 45230866) is 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine is c1n[nH]c(C2CCCCC2)c1CN1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is BWPWUVGEPLSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-2-5-16(6-3-1)19-17(13-20-21-19)14-22-8-4-7-18(15-22)23-9-11-24-12-10-23/h13,16,18H,1-12,14-15H2,(H,20,21).
What are the key properties of 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 332.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 45230866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).