4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid

C18H25NO5 — CID 83855984

IUPAC4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-10-4-5-14(11-19)15(20)12-6-8-13(9-7-12)16(21)22/h6-9,14-15,20H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyOEEZYTIPYDEZPP-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.07
Rot. Bonds3

About 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid

4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid (PubChem CID 83855984) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
PubChem CID83855984
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
SMILESCC(C)(C)OC(=O)N1CCCC(C(O)c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-10-4-5-14(11-19)15(20)12-6-8-13(9-7-12)16(21)22/h6-9,14-15,20H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyOEEZYTIPYDEZPP-UHFFFAOYSA-N
XLogP3.07
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid with MolForge

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Related Compounds

tert-butyl 3-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 73304645
4-[fluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855983
tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 44555022
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949
tert-butyl (3R)-3-[(R)-(2,3-difluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 141177835
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 71183822
tert-butyl (3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 95566444
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 3-methylpiperidine-1-carboxylate;ethane;4-nitrosobenzoic acid
CID 153399076
tert-butyl 3-(1-isocyanoethyl)piperidine-1-carboxylate
CID 84727790
tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate
CID 83973003

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid?
The IUPAC name of 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid (CID 83855984) is 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid?
The canonical SMILES for 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid is CC(C)(C)OC(=O)N1CCCC(C(O)c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid?
The InChIKey is OEEZYTIPYDEZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(2,3)24-17(23)19-10-4-5-14(11-19)15(20)12-6-8-13(9-7-12)16(21)22/h6-9,14-15,20H,4-5,10-11H2,1-3H3,(H,21,22).
What are the key properties of 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid?
4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid has a molecular weight of 335.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid is sourced from PubChem (CID 83855984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).