1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one

C20H21NO3 — CID 149110974

IUPAC1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc(O)cc(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H21NO3/c1-2-20(23)21-10-8-18(9-11-21)24-19-13-16(12-17(22)14-19)15-6-4-3-5-7-15/h2-7,12-14,18,22H,1,8-11H2
InChIKeyQWWIJTGBWRKBDG-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one

1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one (PubChem CID 149110974) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
PubChem CID149110974
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc(O)cc(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H21NO3/c1-2-20(23)21-10-8-18(9-11-21)24-19-13-16(12-17(22)14-19)15-6-4-3-5-7-15/h2-7,12-14,18,22H,1,8-11H2
InChIKeyQWWIJTGBWRKBDG-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 154587112
1-[4-[3-(3-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587113
1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
CID 158027048
1-[4-[4-(2-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587085
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
1-[4-[2-(4-chlorophenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587269
4-[2-[(E)-3-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 154968476
1-[4-[3-(4-methoxypyrimidin-5-yl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587199
(E)-1-[4-[4-(4-fluorophenyl)phenoxy]piperidin-1-yl]-3-[3-fluoro-5-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]prop-2-en-1-one
CID 154968403
phenyl 4-(1-prop-2-enoylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 166411037
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
1-[4-[4-chloro-3-(2-methoxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(4-chloro-3-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;N,N-dimethyl-3-(1-prop-2-enoylpiperidin-4-yl)oxybenzamide;1-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one;1-[4-(3-methoxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one;4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 157078634

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one (CID 149110974) is 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2cc(O)cc(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is QWWIJTGBWRKBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-20(23)21-10-8-18(9-11-21)24-19-13-16(12-17(22)14-19)15-6-4-3-5-7-15/h2-7,12-14,18,22H,1,8-11H2.
What are the key properties of 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one?
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 323.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 149110974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).