phenyl 4-(methoxymethyl)piperidine-1-carboxylate

C14H19NO3 — CID 63999252

IUPACphenyl 4-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-17-11-12-7-9-15(10-8-12)14(16)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyAJJIHVFRUJNZKU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.54
Rot. Bonds3

About phenyl 4-(methoxymethyl)piperidine-1-carboxylate

phenyl 4-(methoxymethyl)piperidine-1-carboxylate (PubChem CID 63999252) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is phenyl 4-(methoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(methoxymethyl)piperidine-1-carboxylate
PubChem CID63999252
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namephenyl 4-(methoxymethyl)piperidine-1-carboxylate
SMILESCOCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-17-11-12-7-9-15(10-8-12)14(16)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyAJJIHVFRUJNZKU-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 64591522
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
phenyl 4-(2-oxopropoxy)piperidine-1-carboxylate
CID 89146038
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(methoxymethyl)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(methoxymethyl)piperidine-1-carboxylate (CID 63999252) is phenyl 4-(methoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(methoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(methoxymethyl)piperidine-1-carboxylate is COCC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(methoxymethyl)piperidine-1-carboxylate?
The InChIKey is AJJIHVFRUJNZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-11-12-7-9-15(10-8-12)14(16)18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of phenyl 4-(methoxymethyl)piperidine-1-carboxylate?
phenyl 4-(methoxymethyl)piperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(methoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 63999252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).