(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid

C16H18N2O3 — CID 164698384

IUPAC(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O
InChIInChI=1S/C16H18N2O3/c19-15-7-8-18(10-13(15)16(20)21)9-12-6-5-11-3-1-2-4-14(11)17-12/h1-6,13,15,19H,7-10H2,(H,20,21)/t13-,15+/m1/s1
InChIKeyDULGVBWVMAZKGD-HIFRSBDPSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds3

About (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 164698384) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID164698384
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O
InChIInChI=1S/C16H18N2O3/c19-15-7-8-18(10-13(15)16(20)21)9-12-6-5-11-3-1-2-4-14(11)17-12/h1-6,13,15,19H,7-10H2,(H,20,21)/t13-,15+/m1/s1
InChIKeyDULGVBWVMAZKGD-HIFRSBDPSA-N
XLogP1.50
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 154457782
3-ethyl-1-(quinolin-2-ylmethyl)piperidin-4-ol
CID 114511029
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
1-(quinolin-2-ylmethyl)azetidin-3-amine
CID 63760715
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 129489272
(8aR)-2-(oxan-4-yl)-7-(quinolin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368680
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
N,1-dimethyl-4-(quinolin-2-ylmethyl)-1,4-diazepane-6-carboxamide
CID 155983258

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid (CID 164698384) is (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is DULGVBWVMAZKGD-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-7-8-18(10-13(15)16(20)21)9-12-6-5-11-3-1-2-4-14(11)17-12/h1-6,13,15,19H,7-10H2,(H,20,21)/t13-,15+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 164698384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).