5-phenylmethoxypiperidine-2-carboxylic acid

C13H17NO3 — CID 83646959

IUPAC5-phenylmethoxypiperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(OCc2ccccc2)CN1
InChIInChI=1S/C13H17NO3/c15-13(16)12-7-6-11(8-14-12)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyJWFJMCHRSQOHAT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.41
Rot. Bonds4

About 5-phenylmethoxypiperidine-2-carboxylic acid

5-phenylmethoxypiperidine-2-carboxylic acid (PubChem CID 83646959) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-phenylmethoxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-phenylmethoxypiperidine-2-carboxylic acid
PubChem CID83646959
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-phenylmethoxypiperidine-2-carboxylic acid
SMILESO=C(O)C1CCC(OCc2ccccc2)CN1
InChIInChI=1S/C13H17NO3/c15-13(16)12-7-6-11(8-14-12)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyJWFJMCHRSQOHAT-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294721
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
(3S,4S)-5,5,5-trifluoro-4-hydroxy-1-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]-3-propan-2-ylpentan-1-one
CID 149221455
(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide
CID 70341122

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxypiperidine-2-carboxylic acid?
The IUPAC name of 5-phenylmethoxypiperidine-2-carboxylic acid (CID 83646959) is 5-phenylmethoxypiperidine-2-carboxylic acid.
What is the SMILES notation for 5-phenylmethoxypiperidine-2-carboxylic acid?
The canonical SMILES for 5-phenylmethoxypiperidine-2-carboxylic acid is O=C(O)C1CCC(OCc2ccccc2)CN1.
What is the InChIKey of 5-phenylmethoxypiperidine-2-carboxylic acid?
The InChIKey is JWFJMCHRSQOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)12-7-6-11(8-14-12)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16).
What are the key properties of 5-phenylmethoxypiperidine-2-carboxylic acid?
5-phenylmethoxypiperidine-2-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxypiperidine-2-carboxylic acid is sourced from PubChem (CID 83646959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).