4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine

C18H29N3O2 — CID 11638322

IUPAC4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)ncc1OCCCN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-2-7-20(8-3-1)9-4-12-23-18-6-5-17(19-15-18)16-21-10-13-22-14-11-21/h5-6,15H,1-4,7-14,16H2
InChIKeyAKESFWSNMOFOQC-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.17
Rot. Bonds7

About 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine

4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine (PubChem CID 11638322) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine
PubChem CID11638322
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine
SMILESc1cc(CN2CCOCC2)ncc1OCCCN1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-2-7-20(8-3-1)9-4-12-23-18-6-5-17(19-15-18)16-21-10-13-22-14-11-21/h5-6,15H,1-4,7-14,16H2
InChIKeyAKESFWSNMOFOQC-UHFFFAOYSA-N
XLogP2.17
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine (CID 11638322) is 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine is c1cc(CN2CCOCC2)ncc1OCCCN1CCCCC1.
What is the InChIKey of 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine?
The InChIKey is AKESFWSNMOFOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-7-20(8-3-1)9-4-12-23-18-6-5-17(19-15-18)16-21-10-13-22-14-11-21/h5-6,15H,1-4,7-14,16H2.
What are the key properties of 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine?
4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine has a molecular weight of 319.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-piperidin-1-ylpropoxy)-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 11638322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).