(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one

C17H25NO3 — CID 134962446

IUPAC(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one
SMILESO=C(CC[C@@H](O)CCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO3/c19-16(8-4-7-15-5-2-1-3-6-15)9-10-17(20)18-11-13-21-14-12-18/h1-3,5-6,16,19H,4,7-14H2/t16-/m0/s1
InChIKeyWCQZDJXCIUDOEK-INIZCTEOSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds7

About (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one

(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one (PubChem CID 134962446) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one
PubChem CID134962446
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one
SMILESO=C(CC[C@@H](O)CCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO3/c19-16(8-4-7-15-5-2-1-3-6-15)9-10-17(20)18-11-13-21-14-12-18/h1-3,5-6,16,19H,4,7-14H2/t16-/m0/s1
InChIKeyWCQZDJXCIUDOEK-INIZCTEOSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
Ethyl 1-(2,3-dihydroxypropyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23723841
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
CID 2957681
1-(Piperidin-1-yl)propan-2-yl 3-phenylpropanoate
CID 2930161
4-Morpholinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062956
[4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]methanol
CID 16188733
(2-Methylmorpholin-4-yl)-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 53509665
[4-(3-Fluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 53512400
(4-{2-Oxo-2-[2-(trifluoromethyl)-4-morpholinyl]ethyl}phenyl)methanol
CID 56899658
[4-(2,4-Difluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 75392484
[(S)-3-(hydroxymethyl)-4-morpholinyl](4-phenyltetrahydro-4H-pyran-4-yl)methanone
CID 97040222

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one?
The IUPAC name of (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one (CID 134962446) is (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one.
What is the SMILES notation for (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one?
The canonical SMILES for (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one is O=C(CC[C@@H](O)CCCc1ccccc1)N1CCOCC1.
What is the InChIKey of (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one?
The InChIKey is WCQZDJXCIUDOEK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16(8-4-7-15-5-2-1-3-6-15)9-10-17(20)18-11-13-21-14-12-18/h1-3,5-6,16,19H,4,7-14H2/t16-/m0/s1.
What are the key properties of (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one?
(4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-1-morpholin-4-yl-7-phenylheptan-1-one is sourced from PubChem (CID 134962446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).