4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine

C17H30N4O — CID 71892440

IUPAC4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine
SMILESCC(C)CN1CCOC(CN2CCCC(c3ccn[nH]3)C2)C1
InChIInChI=1S/C17H30N4O/c1-14(2)10-21-8-9-22-16(13-21)12-20-7-3-4-15(11-20)17-5-6-18-19-17/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,18,19)
InChIKeyFWVCFYHZWSCPQO-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.95
Rot. Bonds5

About 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine

4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine (PubChem CID 71892440) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine
PubChem CID71892440
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine
SMILESCC(C)CN1CCOC(CN2CCCC(c3ccn[nH]3)C2)C1
InChIInChI=1S/C17H30N4O/c1-14(2)10-21-8-9-22-16(13-21)12-20-7-3-4-15(11-20)17-5-6-18-19-17/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,18,19)
InChIKeyFWVCFYHZWSCPQO-UHFFFAOYSA-N
XLogP1.95
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine?
The IUPAC name of 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine (CID 71892440) is 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine.
What is the SMILES notation for 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine?
The canonical SMILES for 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine is CC(C)CN1CCOC(CN2CCCC(c3ccn[nH]3)C2)C1.
What is the InChIKey of 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine?
The InChIKey is FWVCFYHZWSCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)10-21-8-9-22-16(13-21)12-20-7-3-4-15(11-20)17-5-6-18-19-17/h5-6,14-16H,3-4,7-13H2,1-2H3,(H,18,19).
What are the key properties of 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine?
4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine has a molecular weight of 306.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]morpholine is sourced from PubChem (CID 71892440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).