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

C24H31ClN2O3 — CID 67119934

IUPAC2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O3.ClH/c27-23(21-4-2-1-3-5-21)18-24(28)10-12-25(13-11-24)19-20-6-8-22(9-7-20)26-14-16-29-17-15-26;/h1-9,28H,10-19H2;1H
InChIKeyGWBNLECDQYDWFK-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.54
Rot. Bonds6

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

2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride (PubChem CID 67119934) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
PubChem CID67119934
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
SMILESCl.O=C(CC1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O3.ClH/c27-23(21-4-2-1-3-5-21)18-24(28)10-12-25(13-11-24)19-20-6-8-22(9-7-20)26-14-16-29-17-15-26;/h1-9,28H,10-19H2;1H
InChIKeyGWBNLECDQYDWFK-UHFFFAOYSA-N
XLogP3.54
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The IUPAC name of 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride (CID 67119934) is 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride is Cl.O=C(CC1(O)CCN(Cc2ccc(N3CCOCC3)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
The InChIKey is GWBNLECDQYDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3.ClH/c27-23(21-4-2-1-3-5-21)18-24(28)10-12-25(13-11-24)19-20-6-8-22(9-7-20)26-14-16-29-17-15-26;/h1-9,28H,10-19H2;1H.
What are the key properties of 2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride?
2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 3.54, 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-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride is sourced from PubChem (CID 67119934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).