benzyl 4-methylpiperidine-1-carboxylate

C14H19NO2 — CID 10752116

IUPACbenzyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyMPZPMMGNNQHAIF-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.06
Rot. Bonds2

About benzyl 4-methylpiperidine-1-carboxylate

benzyl 4-methylpiperidine-1-carboxylate (PubChem CID 10752116) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-methylpiperidine-1-carboxylate
PubChem CID10752116
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyMPZPMMGNNQHAIF-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 4-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-methylpiperidine-1-carboxylate (CID 10752116) is benzyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-methylpiperidine-1-carboxylate?
The InChIKey is MPZPMMGNNQHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of benzyl 4-methylpiperidine-1-carboxylate?
benzyl 4-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 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 10752116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).