(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone

C18H25NO3 — CID 123142194

IUPAC(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
SMILESC=C(OC(C)(C)C)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-13(22-18(2,3)4)19-11-9-15(10-12-19)17(21)14-5-7-16(20)8-6-14/h5-8,15,20H,1,9-12H2,2-4H3
InChIKeyQSSYBSHLFBJOGU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.57
Rot. Bonds4

About (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone

(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone (PubChem CID 123142194) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
PubChem CID123142194
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone
SMILESC=C(OC(C)(C)C)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-13(22-18(2,3)4)19-11-9-15(10-12-19)17(21)14-5-7-16(20)8-6-14/h5-8,15,20H,1,9-12H2,2-4H3
InChIKeyQSSYBSHLFBJOGU-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl N-[1-[4-(4-methylbenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55956466
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862
4-(4-hydroxybenzoyl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 75361439
2,2-dimethyl-1-[4-(1-methylpiperidine-4-carbonyl)phenyl]propan-1-one
CID 58228571

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone (CID 123142194) is (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone is C=C(OC(C)(C)C)N1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone?
The InChIKey is QSSYBSHLFBJOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(22-18(2,3)4)19-11-9-15(10-12-19)17(21)14-5-7-16(20)8-6-14/h5-8,15,20H,1,9-12H2,2-4H3.
What are the key properties of (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone?
(4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone has a molecular weight of 303.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methanone is sourced from PubChem (CID 123142194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).