4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride

C25H44ClNO — CID 173231526

IUPAC4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
SMILESCCCCCCCCCCC(CCC)(Cc1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C25H43NO.ClH/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,26-19-21-27-22-20-26)23-24-15-12-11-13-16-24;/h11-13,15-16H,3-10,14,17-23H2,1-2H3;1H
InChIKeyHNRATIJQFAHCIA-UHFFFAOYSA-N
MW410.09 g/mol
LogP7.05
Rot. Bonds14

About 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride

4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride (PubChem CID 173231526) has the molecular formula C25H44ClNO and a molecular weight of 410.09 g/mol. Its IUPAC name is 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
PubChem CID173231526
Molecular FormulaC25H44ClNO
Molecular Weight410.09 g/mol
Exact Mass409.31
IUPAC Name4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride
SMILESCCCCCCCCCCC(CCC)(Cc1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C25H43NO.ClH/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,26-19-21-27-22-20-26)23-24-15-12-11-13-16-24;/h11-13,15-16H,3-10,14,17-23H2,1-2H3;1H
InChIKeyHNRATIJQFAHCIA-UHFFFAOYSA-N
XLogP7.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.09
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-benzyltetradecan-4-yl)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

Related Compounds

4-(4-benzyltetradecan-4-yl)morpholine
CID 54485656
4-benzyltetradecan-4-yl morpholin-4-yl hydrogen phosphate
CID 57254117
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol;hydrochloride
CID 173004989
3-benzyl-3-(4,5-dihydroimidazol-1-yl)icosan-1-ol
CID 57110470
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
(2-chloro-2-nonyldodecyl)benzene
CID 142488701
2,2-diethylundecylbenzene
CID 151975771
8-benzylpentadecan-8-ol
CID 13016086
[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
2-benzyl-2-morpholin-4-ylpropanedioic acid
CID 19736376
2-morpholin-4-yl-2-phenylpentanamide
CID 129053011

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride?
The IUPAC name of 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride (CID 173231526) is 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride is CCCCCCCCCCC(CCC)(Cc1ccccc1)N1CCOCC1.Cl.
What is the InChIKey of 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride?
The InChIKey is HNRATIJQFAHCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO.ClH/c1-3-5-6-7-8-9-10-14-18-25(17-4-2,26-19-21-27-22-20-26)23-24-15-12-11-13-16-24;/h11-13,15-16H,3-10,14,17-23H2,1-2H3;1H.
What are the key properties of 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride?
4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride has a molecular weight of 410.09 g/mol, XLogP of 7.05, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyltetradecan-4-yl)morpholine;hydrochloride is sourced from PubChem (CID 173231526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).