(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid

C12H14Cl2N2O3 — CID 50981156

IUPAC(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1c(Cl)cncc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c13-9-4-15-5-10(14)8(9)6-16-2-1-7(17)3-11(16)12(18)19/h4-5,7,11,17H,1-3,6H2,(H,18,19)/t7-,11+/m0/s1
InChIKeyDQKAXZCWRIQWSJ-WRWORJQWSA-N
MW305.16 g/mol
LogP1.80
Rot. Bonds3

About (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid

(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid (PubChem CID 50981156) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
PubChem CID50981156
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CCN1Cc1c(Cl)cncc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c13-9-4-15-5-10(14)8(9)6-16-2-1-7(17)3-11(16)12(18)19/h4-5,7,11,17H,1-3,6H2,(H,18,19)/t7-,11+/m0/s1
InChIKeyDQKAXZCWRIQWSJ-WRWORJQWSA-N
XLogP1.80
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426538
(2R,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50955470
(2R,4S)-4-hydroxy-1-[(6-phenoxy-3-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 50978543
(2R,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-hydroxypiperidine-2-carboxylic acid
CID 50949555
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
(2S,4R)-4-hydroxy-1-[(E)-2-methylbut-2-enyl]piperidine-2-carboxylic acid
CID 133112671
1-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431245
(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-2-carboxylic acid
CID 66993125
(2S,4R)-4-hydroxy-1-[(1-prop-2-enylbenzimidazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 133125273

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid (CID 50981156) is (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CCN1Cc1c(Cl)cncc1Cl.
What is the InChIKey of (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
The InChIKey is DQKAXZCWRIQWSJ-WRWORJQWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c13-9-4-15-5-10(14)8(9)6-16-2-1-7(17)3-11(16)12(18)19/h4-5,7,11,17H,1-3,6H2,(H,18,19)/t7-,11+/m0/s1.
What are the key properties of (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid?
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid has a molecular weight of 305.16 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid is sourced from PubChem (CID 50981156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).