tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate

C18H25NO3 — CID 66884464

IUPACtert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1=Cc1cccc(O)c1
InChIInChI=1S/C18H25NO3/c1-13-12-19(17(21)22-18(2,3)4)9-8-15(13)10-14-6-5-7-16(20)11-14/h5-7,10-11,13,20H,8-9,12H2,1-4H3
InChIKeyDGJHZYZUIJQPKZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.05
Rot. Bonds1

About tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate

tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate (PubChem CID 66884464) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate
PubChem CID66884464
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CCC1=Cc1cccc(O)c1
InChIInChI=1S/C18H25NO3/c1-13-12-19(17(21)22-18(2,3)4)9-8-15(13)10-14-6-5-7-16(20)11-14/h5-7,10-11,13,20H,8-9,12H2,1-4H3
InChIKeyDGJHZYZUIJQPKZ-UHFFFAOYSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3-aminophenyl)methylidene]piperidine-1-carboxylate
CID 166025750
tert-butyl 3-methyl-4-oxoazepane-1-carboxylate;hydrochloride
CID 133063383
tert-butyl 3-(4-hydroxy-2-methylphenyl)-4-oxopiperidine-1-carboxylate
CID 66724451
4-[[3-(1,1-difluoroethyl)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66884378
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
1-O-tert-butyl 5-O-methyl 4-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 58005572
tert-butyl 6-(3-formylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045536
tert-butyl 3-fluoro-4-(2-hydroxyethylidene)piperidine-1-carboxylate
CID 70879988
1-O-tert-butyl 4-O-ethyl 5-amino-6-methyl-2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 59022540
tert-butyl (3R)-4-(3-chlorophenyl)-3-methylpiperazine-1-carboxylate
CID 150433526
tert-butyl 3-[3-(3-phenylphenyl)prop-2-enoyl]pyrrolidine-1-carboxylate
CID 175146668
tert-butyl 4-methyl-5-oxoazepane-1-carboxylate;hydrochloride
CID 133062275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate (CID 66884464) is tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CCC1=Cc1cccc(O)c1.
What is the InChIKey of tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate?
The InChIKey is DGJHZYZUIJQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-12-19(17(21)22-18(2,3)4)9-8-15(13)10-14-6-5-7-16(20)11-14/h5-7,10-11,13,20H,8-9,12H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate?
tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-hydroxyphenyl)methylidene]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 66884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).