4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride

C15H20ClNO2 — CID 6603561

IUPAC4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride
SMILESC(#CCN1CCOCC1)COCc1ccccc1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16;/h1-3,6-7H,8-14H2;1H
InChIKeyXYDDCMVAHUUPDT-UHFFFAOYSA-N
MW281.78 g/mol
LogP1.96
Rot. Bonds4

About 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride

4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride (PubChem CID 6603561) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride
PubChem CID6603561
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride
SMILESC(#CCN1CCOCC1)COCc1ccccc1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16;/h1-3,6-7H,8-14H2;1H
InChIKeyXYDDCMVAHUUPDT-UHFFFAOYSA-N
XLogP1.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride?
The IUPAC name of 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride (CID 6603561) is 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride is C(#CCN1CCOCC1)COCc1ccccc1.Cl.
What is the InChIKey of 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride?
The InChIKey is XYDDCMVAHUUPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16;/h1-3,6-7H,8-14H2;1H.
What are the key properties of 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride?
4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxybut-2-ynyl)morpholine;hydrochloride is sourced from PubChem (CID 6603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).