1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

C16H23NO6 — CID 96576694

IUPAC1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(C[C@@H](O)CO)CC1
InChIInChI=1S/C16H23NO6/c1-22-13-4-2-3-5-14(13)23-16(15(20)21)6-8-17(9-7-16)10-12(19)11-18/h2-5,12,18-19H,6-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyHFYNSHBRFSTEPE-GFCCVEGCSA-N
MW325.36 g/mol
LogP0.35
Rot. Bonds7

About 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid

1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (PubChem CID 96576694) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
PubChem CID96576694
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCN(C[C@@H](O)CO)CC1
InChIInChI=1S/C16H23NO6/c1-22-13-4-2-3-5-14(13)23-16(15(20)21)6-8-17(9-7-16)10-12(19)11-18/h2-5,12,18-19H,6-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyHFYNSHBRFSTEPE-GFCCVEGCSA-N
XLogP0.35
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid (CID 96576694) is 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is COc1ccccc1OC1(C(=O)O)CCN(C[C@@H](O)CO)CC1.
What is the InChIKey of 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
The InChIKey is HFYNSHBRFSTEPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO6/c1-22-13-4-2-3-5-14(13)23-16(15(20)21)6-8-17(9-7-16)10-12(19)11-18/h2-5,12,18-19H,6-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid?
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 96576694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).