benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate

C19H22N2O3 — CID 147274685

IUPACbenzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C19H22N2O3/c22-19(24-14-16-7-2-1-3-8-16)21-12-5-4-9-17(21)15-23-18-10-6-11-20-13-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14-15H2
InChIKeyCRCXMRABLMVBPM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.65
Rot. Bonds5

About benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate

benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate (PubChem CID 147274685) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
PubChem CID147274685
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C19H22N2O3/c22-19(24-14-16-7-2-1-3-8-16)21-12-5-4-9-17(21)15-23-18-10-6-11-20-13-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14-15H2
InChIKeyCRCXMRABLMVBPM-UHFFFAOYSA-N
XLogP3.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
(1-acetylpiperidin-4-yl) 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 158554982
(5-phenylfuran-2-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 158213092
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 159745251
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl (2R)-2-[[6-(acetyloxymethyl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 54470383
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
2-[(1-phenylmethoxycarbonylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 66564501
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
benzyl (2S)-2-[(6-methoxy-3-pyridinyl)oxymethyl]azetidine-1-carboxylate;2-methoxy-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70101463

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate (CID 147274685) is benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1COc1cccnc1.
What is the InChIKey of benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
The InChIKey is CRCXMRABLMVBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(24-14-16-7-2-1-3-8-16)21-12-5-4-9-17(21)15-23-18-10-6-11-20-13-18/h1-3,6-8,10-11,13,17H,4-5,9,12,14-15H2.
What are the key properties of benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate?
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 147274685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).