(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid

C18H20N2O4 — CID 50978543

IUPAC(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1
InChIKeyDHZGCMMBIZZJJV-GOEBONIOSA-N
MW328.37 g/mol
LogP2.28
Rot. Bonds5

About (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid

(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid (PubChem CID 50978543) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
PubChem CID50978543
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1
InChIKeyDHZGCMMBIZZJJV-GOEBONIOSA-N
XLogP2.28
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid (CID 50978543) is (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CCN1Cc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DHZGCMMBIZZJJV-GOEBONIOSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-14-8-9-20(16(10-14)18(22)23)12-13-6-7-17(19-11-13)24-15-4-2-1-3-5-15/h1-7,11,14,16,21H,8-10,12H2,(H,22,23)/t14-,16+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid?
(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 50978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).