4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine

C14H18N2O — CID 142566582

IUPAC4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
SMILESC#Cc1ccncc1CCCN1CCOCC1
InChIInChI=1S/C14H18N2O/c1-2-13-5-6-15-12-14(13)4-3-7-16-8-10-17-11-9-16/h1,5-6,12H,3-4,7-11H2
InChIKeyNZZPZYNJOFDHEX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.33
Rot. Bonds4

About 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine

4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine (PubChem CID 142566582) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
PubChem CID142566582
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
SMILESC#Cc1ccncc1CCCN1CCOCC1
InChIInChI=1S/C14H18N2O/c1-2-13-5-6-15-12-14(13)4-3-7-16-8-10-17-11-9-16/h1,5-6,12H,3-4,7-11H2
InChIKeyNZZPZYNJOFDHEX-UHFFFAOYSA-N
XLogP1.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine (CID 142566582) is 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine is C#Cc1ccncc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine?
The InChIKey is NZZPZYNJOFDHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-13-5-6-15-12-14(13)4-3-7-16-8-10-17-11-9-16/h1,5-6,12H,3-4,7-11H2.
What are the key properties of 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine?
4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine has a molecular weight of 230.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine is sourced from PubChem (CID 142566582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).