benzyl 3-methylpiperidine-1-carboxylate

C14H19NO2 — CID 10847258

IUPACbenzyl 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyVKQSQRIURAFNIZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.06
Rot. Bonds2

About benzyl 3-methylpiperidine-1-carboxylate

benzyl 3-methylpiperidine-1-carboxylate (PubChem CID 10847258) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methylpiperidine-1-carboxylate
PubChem CID10847258
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 3-methylpiperidine-1-carboxylate
SMILESCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyVKQSQRIURAFNIZ-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl 3-methylpiperidine-1-carboxylate (CID 10847258) is benzyl 3-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-methylpiperidine-1-carboxylate is CC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-methylpiperidine-1-carboxylate?
The InChIKey is VKQSQRIURAFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12-6-5-9-15(10-12)14(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of benzyl 3-methylpiperidine-1-carboxylate?
benzyl 3-methylpiperidine-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 10847258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).