(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid

C7H13NO3 — CID 91799028

IUPAC(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](CO)NC1
InChIInChI=1S/C7H13NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6-/m1/s1
InChIKeyUHPDTNQOGBHZPV-PHDIDXHHSA-N
MW159.18 g/mol
LogP-0.57
Rot. Bonds2

About (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid

(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid (PubChem CID 91799028) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
PubChem CID91799028
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](CO)NC1
InChIInChI=1S/C7H13NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6-/m1/s1
InChIKeyUHPDTNQOGBHZPV-PHDIDXHHSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoropiperidin-2-yl)methanol
CID 84648183
1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 130146070
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
[5-(aminomethyl)piperidin-2-yl]methanol
CID 170157404
[5-(methylamino)piperidin-2-yl]methanol
CID 123321143
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid
CID 162591493
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
aziridin-2-ylmethanol
CID 11286436

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid (CID 91799028) is (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CC[C@H](CO)NC1.
What is the InChIKey of (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid?
The InChIKey is UHPDTNQOGBHZPV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO3/c9-4-6-2-1-5(3-8-6)7(10)11/h5-6,8-9H,1-4H2,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid?
(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 91799028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).