4-(6-benzhydryloxyhexyl)morpholine;hydrochloride

C23H32ClNO2 — CID 3047891

IUPAC4-(6-benzhydryloxyhexyl)morpholine;hydrochloride
SMILESCl.c1ccc(C(OCCCCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2.ClH/c1(9-15-24-16-19-25-20-17-24)2-10-18-26-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22;/h3-8,11-14,23H,1-2,9-10,15-20H2;1H
InChIKeyMCULEIOFRCNKBD-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.11
Rot. Bonds10

About 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride

4-(6-benzhydryloxyhexyl)morpholine;hydrochloride (PubChem CID 3047891) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(6-benzhydryloxyhexyl)morpholine;hydrochloride
PubChem CID3047891
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name4-(6-benzhydryloxyhexyl)morpholine;hydrochloride
SMILESCl.c1ccc(C(OCCCCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2.ClH/c1(9-15-24-16-19-25-20-17-24)2-10-18-26-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22;/h3-8,11-14,23H,1-2,9-10,15-20H2;1H
InChIKeyMCULEIOFRCNKBD-UHFFFAOYSA-N
XLogP5.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(6-benzhydryloxyhexyl)morpholine;hydrochloride?
The IUPAC name of 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride (CID 3047891) is 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride?
The canonical SMILES for 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride is Cl.c1ccc(C(OCCCCCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride?
The InChIKey is MCULEIOFRCNKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1(9-15-24-16-19-25-20-17-24)2-10-18-26-23(21-11-5-3-6-12-21)22-13-7-4-8-14-22;/h3-8,11-14,23H,1-2,9-10,15-20H2;1H.
What are the key properties of 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride?
4-(6-benzhydryloxyhexyl)morpholine;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzhydryloxyhexyl)morpholine;hydrochloride is sourced from PubChem (CID 3047891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).