4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C12H16N2O3 — CID 81232474

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCCC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-8-9-2-1-5-14(7-9)11-3-4-13-6-10(11)12(16)17/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyRHSPXJCHPGZGCW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

About 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid

4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 81232474) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID81232474
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1N1CCCC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-8-9-2-1-5-14(7-9)11-3-4-13-6-10(11)12(16)17/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17)
InChIKeyRHSPXJCHPGZGCW-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 167865024
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
4-(3-acetamidopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 113402381
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethanol
CID 62358308

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 81232474) is 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1N1CCCC(CO)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is RHSPXJCHPGZGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-8-9-2-1-5-14(7-9)11-3-4-13-6-10(11)12(16)17/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17).
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81232474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).