2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride

C16H24ClNO2 — CID 54599189

IUPAC2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
SMILESCCCCC(C(=O)c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-3-9-15(17-10-12-19-13-11-17)16(18)14-7-5-4-6-8-14;/h4-8,15H,2-3,9-13H2,1H3;1H
InChIKeyTZKWRTBJXQGLMA-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.18
Rot. Bonds6

About 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride

2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride (PubChem CID 54599189) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
PubChem CID54599189
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
SMILESCCCCC(C(=O)c1ccccc1)N1CCOCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-2-3-9-15(17-10-12-19-13-11-17)16(18)14-7-5-4-6-8-14;/h4-8,15H,2-3,9-13H2,1H3;1H
InChIKeyTZKWRTBJXQGLMA-UHFFFAOYSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
2-morpholin-4-yldecanoic acid
CID 57259608
1-(4-hydroxyphenyl)-2-morpholin-4-yl-3-phenylpropan-1-one
CID 24843920
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
ethyl 4-(2-pyrrolidin-1-ylhexanoyl)benzoate
CID 6423083
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
CID 6603036
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
(2R,3S)-1-(4-butoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92759233

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride (CID 54599189) is 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride is CCCCC(C(=O)c1ccccc1)N1CCOCC1.Cl.
What is the InChIKey of 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride?
The InChIKey is TZKWRTBJXQGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-2-3-9-15(17-10-12-19-13-11-17)16(18)14-7-5-4-6-8-14;/h4-8,15H,2-3,9-13H2,1H3;1H.
What are the key properties of 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride?
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride is sourced from PubChem (CID 54599189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).