4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid

C13H18N2O4 — CID 95563400

IUPAC4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESC[C@@H](O)c1cccc(N2CCC(O)(C(=O)O)CC2)n1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-3-2-4-11(14-10)15-7-5-13(19,6-8-15)12(17)18/h2-4,9,16,19H,5-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyVNLKHZKTJPAOPC-SECBINFHSA-N
MW266.30 g/mol
LogP0.55
Rot. Bonds3

About 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid

4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 95563400) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID95563400
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESC[C@@H](O)c1cccc(N2CCC(O)(C(=O)O)CC2)n1
InChIInChI=1S/C13H18N2O4/c1-9(16)10-3-2-4-11(14-10)15-7-5-13(19,6-8-15)12(17)18/h2-4,9,16,19H,5-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyVNLKHZKTJPAOPC-SECBINFHSA-N
XLogP0.55
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755226
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 138052956
methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
CID 97280710
(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 97452088
3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
CID 146140358
2-(6-morpholin-4-yl-2-pyridinyl)propanoic acid
CID 83897074
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 95563400) is 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid is C[C@@H](O)c1cccc(N2CCC(O)(C(=O)O)CC2)n1.
What is the InChIKey of 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is VNLKHZKTJPAOPC-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)10-3-2-4-11(14-10)15-7-5-13(19,6-8-15)12(17)18/h2-4,9,16,19H,5-8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95563400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).