methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate

C19H22N2O3 — CID 71918031

IUPACmethyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-19(23)17-16(8-5-11-20-17)21-12-9-15(10-13-21)18(22)14-6-3-2-4-7-14/h2-8,11,15,18,22H,9-10,12-13H2,1H3
InChIKeyMQGIOMCFGHYOMV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds4

About methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate

methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 71918031) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate
PubChem CID71918031
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-19(23)17-16(8-5-11-20-17)21-12-9-15(10-13-21)18(22)14-6-3-2-4-7-14/h2-8,11,15,18,22H,9-10,12-13H2,1H3
InChIKeyMQGIOMCFGHYOMV-UHFFFAOYSA-N
XLogP2.82
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate (CID 71918031) is methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate is COC(=O)c1ncccc1N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is MQGIOMCFGHYOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-19(23)17-16(8-5-11-20-17)21-12-9-15(10-13-21)18(22)14-6-3-2-4-7-14/h2-8,11,15,18,22H,9-10,12-13H2,1H3.
What are the key properties of methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate?
methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 71918031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).