benzyl (1-methylpiperidin-4-yl) carbonate

C14H19NO3 — CID 58676243

IUPACbenzyl (1-methylpiperidin-4-yl) carbonate
SMILESCN1CCC(OC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-15-9-7-13(8-10-15)18-14(16)17-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyVKPKCOWFRUVVQA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds3

About benzyl (1-methylpiperidin-4-yl) carbonate

benzyl (1-methylpiperidin-4-yl) carbonate (PubChem CID 58676243) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (1-methylpiperidin-4-yl) carbonate.

Molecular Properties

Compound Namebenzyl (1-methylpiperidin-4-yl) carbonate
PubChem CID58676243
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (1-methylpiperidin-4-yl) carbonate
SMILESCN1CCC(OC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19NO3/c1-15-9-7-13(8-10-15)18-14(16)17-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyVKPKCOWFRUVVQA-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575
(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 166494697
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
benzyl (2S,3aS,6aS)-2-phenylmethoxycarbonyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 67831687
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl 5-[3-[(1-methylpiperidin-4-yl)oxycarbonylamino]-4-phenylphenyl]pentanoate
CID 66597128

Frequently Asked Questions

What is the IUPAC name of benzyl (1-methylpiperidin-4-yl) carbonate?
The IUPAC name of benzyl (1-methylpiperidin-4-yl) carbonate (CID 58676243) is benzyl (1-methylpiperidin-4-yl) carbonate.
What is the SMILES notation for benzyl (1-methylpiperidin-4-yl) carbonate?
The canonical SMILES for benzyl (1-methylpiperidin-4-yl) carbonate is CN1CCC(OC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl (1-methylpiperidin-4-yl) carbonate?
The InChIKey is VKPKCOWFRUVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-7-13(8-10-15)18-14(16)17-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of benzyl (1-methylpiperidin-4-yl) carbonate?
benzyl (1-methylpiperidin-4-yl) carbonate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1-methylpiperidin-4-yl) carbonate is sourced from PubChem (CID 58676243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).