4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid

C18H20N2O4 — CID 68924039

IUPAC4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(OCc3ccccc3)n2)CC1
InChIInChI=1S/C18H20N2O4/c21-18(22)20-11-9-15(10-12-20)24-17-8-4-7-16(19-17)23-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,22)
InChIKeyFZVBDGJQKRIBNV-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.18
Rot. Bonds5

About 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid

4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid (PubChem CID 68924039) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
PubChem CID68924039
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc(OCc3ccccc3)n2)CC1
InChIInChI=1S/C18H20N2O4/c21-18(22)20-11-9-15(10-12-20)24-17-8-4-7-16(19-17)23-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,22)
InChIKeyFZVBDGJQKRIBNV-UHFFFAOYSA-N
XLogP3.18
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 87802411
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
4-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-2-yl]oxypiperidine-1-carboxylic acid
CID 175555659
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
2-[1-(6-phenylmethoxy-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 168942281
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
4-[6-[(4-acetyl-2-cyclopropyloxyphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
CID 175721621
4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129278172
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601

Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid (CID 68924039) is 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cccc(OCc3ccccc3)n2)CC1.
What is the InChIKey of 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
The InChIKey is FZVBDGJQKRIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(22)20-11-9-15(10-12-20)24-17-8-4-7-16(19-17)23-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,22).
What are the key properties of 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid?
4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenylmethoxy-2-pyridinyl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 68924039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).