phenyl 4-methylpiperidine-1-carboxylate

C13H17NO2 — CID 755382

IUPACphenyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyWURIROSRKBPVMF-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.92
Rot. Bonds1

About phenyl 4-methylpiperidine-1-carboxylate

phenyl 4-methylpiperidine-1-carboxylate (PubChem CID 755382) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is phenyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-methylpiperidine-1-carboxylate
PubChem CID755382
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namephenyl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyWURIROSRKBPVMF-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-methylpiperidine-1-carboxylate?
The IUPAC name of phenyl 4-methylpiperidine-1-carboxylate (CID 755382) is phenyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for phenyl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-methylpiperidine-1-carboxylate?
The InChIKey is WURIROSRKBPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11-7-9-14(10-8-11)13(15)16-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of phenyl 4-methylpiperidine-1-carboxylate?
phenyl 4-methylpiperidine-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 755382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).