(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

C18H25ClN2O3 — CID 56904274

IUPAC(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCC(C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O3/c1-13(20-8-10-24-11-9-20)14-4-6-21(7-5-14)18(23)16-3-2-15(19)12-17(16)22/h2-3,12-14,22H,4-11H2,1H3
InChIKeyOCHMTNINEKZJTE-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.62
Rot. Bonds3

About (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone

(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 56904274) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID56904274
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCC(C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O3/c1-13(20-8-10-24-11-9-20)14-4-6-21(7-5-14)18(23)16-3-2-15(19)12-17(16)22/h2-3,12-14,22H,4-11H2,1H3
InChIKeyOCHMTNINEKZJTE-UHFFFAOYSA-N
XLogP2.62
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
[1-(2-hydroxy-4-propan-2-ylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 47051901
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
2-[4-(4-chloro-2-hydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 63337723
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(5-ethyl-1H-pyrazol-4-yl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 118788925
3-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 45174839

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 56904274) is (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is CC(C1CCN(C(=O)c2ccc(Cl)cc2O)CC1)N1CCOCC1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is OCHMTNINEKZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13(20-8-10-24-11-9-20)14-4-6-21(7-5-14)18(23)16-3-2-15(19)12-17(16)22/h2-3,12-14,22H,4-11H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 352.86 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56904274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).