6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride

C23H30ClNO2 — CID 11019

IUPAC6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H
InChIKeyQGUPBYVADAJUNT-UHFFFAOYSA-N
MW387.95 g/mol
LogP4.48
Rot. Bonds7

About 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride

6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride (PubChem CID 11019) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride.

Molecular Properties

Compound Name6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride
PubChem CID11019
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride
SMILESCCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H
InChIKeyQGUPBYVADAJUNT-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.95
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride?
The IUPAC name of 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride (CID 11019) is 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride.
What is the SMILES notation for 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride?
The canonical SMILES for 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride is CCC(=O)C(CC(C)N1CCOCC1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride?
The InChIKey is QGUPBYVADAJUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H.
What are the key properties of 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride?
6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride has a molecular weight of 387.95 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4,4-diphenylheptan-3-one;hydrochloride is sourced from PubChem (CID 11019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).