2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride

C25H33ClN2O3 — CID 67119772

IUPAC2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCC(c1ccc(N2CCOCC2)cc1)N1CCC(O)(CC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-20(21-7-9-23(10-8-21)27-15-17-30-18-16-27)26-13-11-25(29,12-14-26)19-24(28)22-5-3-2-4-6-22;/h2-10,20,29H,11-19H2,1H3;1H
InChIKeyUFNCAIBSLBYMSD-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.11
Rot. Bonds6

About 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride

2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride (PubChem CID 67119772) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
PubChem CID67119772
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCC(c1ccc(N2CCOCC2)cc1)N1CCC(O)(CC(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-20(21-7-9-23(10-8-21)27-15-17-30-18-16-27)26-13-11-25(29,12-14-26)19-24(28)22-5-3-2-4-6-22;/h2-10,20,29H,11-19H2,1H3;1H
InChIKeyUFNCAIBSLBYMSD-UHFFFAOYSA-N
XLogP4.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119934
2-[4-hydroxy-1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]-1-phenylethanone
CID 67119881
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741719
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
[[2-(4-morpholin-4-ylphenyl)-2-oxo-1-phenylethyl]amino] benzoate
CID 130241138
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The IUPAC name of 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride (CID 67119772) is 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride is CC(c1ccc(N2CCOCC2)cc1)N1CCC(O)(CC(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The InChIKey is UFNCAIBSLBYMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3.ClH/c1-20(21-7-9-23(10-8-21)27-15-17-30-18-16-27)26-13-11-25(29,12-14-26)19-24(28)22-5-3-2-4-6-22;/h2-10,20,29H,11-19H2,1H3;1H.
What are the key properties of 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride has a molecular weight of 445.00 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-[1-(4-morpholin-4-ylphenyl)ethyl]piperidin-4-yl]-1-phenylethanone;hydrochloride is sourced from PubChem (CID 67119772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).