(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid

C16H24N2O3 — CID 163308681

IUPAC(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)CC[C@@]1(C(=O)O)CN(c2ccccn2)CC[C@H]1O
InChIInChI=1S/C16H24N2O3/c1-12(2)6-8-16(15(20)21)11-18(10-7-13(16)19)14-5-3-4-9-17-14/h3-5,9,12-13,19H,6-8,10-11H2,1-2H3,(H,20,21)/t13-,16-/m1/s1
InChIKeyIHUBOXSPZXFONK-CZUORRHYSA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds5

About (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid (PubChem CID 163308681) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid
PubChem CID163308681
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)CC[C@@]1(C(=O)O)CN(c2ccccn2)CC[C@H]1O
InChIInChI=1S/C16H24N2O3/c1-12(2)6-8-16(15(20)21)11-18(10-7-13(16)19)14-5-3-4-9-17-14/h3-5,9,12-13,19H,6-8,10-11H2,1-2H3,(H,20,21)/t13-,16-/m1/s1
InChIKeyIHUBOXSPZXFONK-CZUORRHYSA-N
XLogP2.16
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 163318816
(3R,4R)-1-[(2-ethylphenyl)carbamoyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 157017455
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-(5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 162638323
(3R,4R)-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163308974
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 163310026
(3R,4R)-4-hydroxy-1-(3-methoxybenzoyl)-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 162635456
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
(3R,4R)-1-[(4-fluoro-2-methoxyphenyl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163314360
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
(3aR,8aR)-5-(propan-2-ylcarbamoyl)-2-pyridin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 98777301
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
(3R,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 162626581

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid (CID 163308681) is (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid is CC(C)CC[C@@]1(C(=O)O)CN(c2ccccn2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is IHUBOXSPZXFONK-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)6-8-16(15(20)21)11-18(10-7-13(16)19)14-5-3-4-9-17-14/h3-5,9,12-13,19H,6-8,10-11H2,1-2H3,(H,20,21)/t13-,16-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid?
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-pyridin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 163308681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).