4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine

C17H27N3O — CID 102541600

IUPAC4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine
SMILESCC(C)CN1CCCC1c1cccnc1N1CCOCC1
InChIInChI=1S/C17H27N3O/c1-14(2)13-20-8-4-6-16(20)15-5-3-7-18-17(15)19-9-11-21-12-10-19/h3,5,7,14,16H,4,6,8-13H2,1-2H3
InChIKeyLUVBYXBQKCXKQL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.71
Rot. Bonds4

About 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine

4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine (PubChem CID 102541600) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine
PubChem CID102541600
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine
SMILESCC(C)CN1CCCC1c1cccnc1N1CCOCC1
InChIInChI=1S/C17H27N3O/c1-14(2)13-20-8-4-6-16(20)15-5-3-7-18-17(15)19-9-11-21-12-10-19/h3,5,7,14,16H,4,6,8-13H2,1-2H3
InChIKeyLUVBYXBQKCXKQL-UHFFFAOYSA-N
XLogP2.71
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine (CID 102541600) is 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine is CC(C)CN1CCCC1c1cccnc1N1CCOCC1.
What is the InChIKey of 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is LUVBYXBQKCXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)13-20-8-4-6-16(20)15-5-3-7-18-17(15)19-9-11-21-12-10-19/h3,5,7,14,16H,4,6,8-13H2,1-2H3.
What are the key properties of 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine?
4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-methylpropyl)pyrrolidin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 102541600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).