1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

C13H22N2O4 — CID 61407742

IUPAC1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C13H22N2O4/c16-9-11-5-1-2-7-15(11)13(19)14-6-3-4-10(8-14)12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeySCUFTKWUUWOUOL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds2

About 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid

1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 61407742) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID61407742
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C13H22N2O4/c16-9-11-5-1-2-7-15(11)13(19)14-6-3-4-10(8-14)12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeySCUFTKWUUWOUOL-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
CID 62674492
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid (CID 61407742) is 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N2CCCCC2CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is SCUFTKWUUWOUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-9-11-5-1-2-7-15(11)13(19)14-6-3-4-10(8-14)12(17)18/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid?
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61407742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).