3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride

C16H24ClNO3 — CID 52997518

IUPAC3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
SMILESCC(C)Oc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyNXJIALSXNVEGKW-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.80
Rot. Bonds6

About 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride

3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride (PubChem CID 52997518) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
PubChem CID52997518
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
SMILESCC(C)Oc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyNXJIALSXNVEGKW-UHFFFAOYSA-N
XLogP2.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride (CID 52997518) is 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride is CC(C)Oc1ccc(C(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride?
The InChIKey is NXJIALSXNVEGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-13(2)20-15-5-3-14(4-6-15)16(18)7-8-17-9-11-19-12-10-17;/h3-6,13H,7-12H2,1-2H3;1H.
What are the key properties of 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride?
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride has a molecular weight of 313.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 52997518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).