(2-methylphenyl) piperidine-1-carboxylate

C13H17NO2 — CID 18544321

IUPAC(2-methylphenyl) piperidine-1-carboxylate
SMILESCc1ccccc1OC(=O)N1CCCCC1
InChIInChI=1S/C13H17NO2/c1-11-7-3-4-8-12(11)16-13(15)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyXELSYVQOTHHUKD-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.98
Rot. Bonds1

About (2-methylphenyl) piperidine-1-carboxylate

(2-methylphenyl) piperidine-1-carboxylate (PubChem CID 18544321) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2-methylphenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methylphenyl) piperidine-1-carboxylate
PubChem CID18544321
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2-methylphenyl) piperidine-1-carboxylate
SMILESCc1ccccc1OC(=O)N1CCCCC1
InChIInChI=1S/C13H17NO2/c1-11-7-3-4-8-12(11)16-13(15)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyXELSYVQOTHHUKD-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) piperidine-1-carboxylate?
The IUPAC name of (2-methylphenyl) piperidine-1-carboxylate (CID 18544321) is (2-methylphenyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-methylphenyl) piperidine-1-carboxylate?
The canonical SMILES for (2-methylphenyl) piperidine-1-carboxylate is Cc1ccccc1OC(=O)N1CCCCC1.
What is the InChIKey of (2-methylphenyl) piperidine-1-carboxylate?
The InChIKey is XELSYVQOTHHUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11-7-3-4-8-12(11)16-13(15)14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of (2-methylphenyl) piperidine-1-carboxylate?
(2-methylphenyl) piperidine-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) piperidine-1-carboxylate is sourced from PubChem (CID 18544321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).