6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid

C18H19ClN2O3 — CID 122053727

IUPAC6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H19ClN2O3/c19-14-6-4-12(5-7-14)17(22)13-8-10-21(11-9-13)16-3-1-2-15(20-16)18(23)24/h1-7,13,17,22H,8-11H2,(H,23,24)
InChIKeyFXARPMJLEAVMNC-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.38
Rot. Bonds4

About 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053727) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053727
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C18H19ClN2O3/c19-14-6-4-12(5-7-14)17(22)13-8-10-21(11-9-13)16-3-1-2-15(20-16)18(23)24/h1-7,13,17,22H,8-11H2,(H,23,24)
InChIKeyFXARPMJLEAVMNC-UHFFFAOYSA-N
XLogP3.38
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053727) is 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FXARPMJLEAVMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-14-6-4-12(5-7-14)17(22)13-8-10-21(11-9-13)16-3-1-2-15(20-16)18(23)24/h1-7,13,17,22H,8-11H2,(H,23,24).
What are the key properties of 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 346.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).