phenyl 4-(aminomethyl)piperidine-1-carboxylate

C13H18N2O2 — CID 55210350

IUPACphenyl 4-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-10,14H2
InChIKeyQVAGOPRRTSZXGL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.86
Rot. Bonds2

About phenyl 4-(aminomethyl)piperidine-1-carboxylate

phenyl 4-(aminomethyl)piperidine-1-carboxylate (PubChem CID 55210350) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is phenyl 4-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(aminomethyl)piperidine-1-carboxylate
PubChem CID55210350
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namephenyl 4-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H18N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-10,14H2
InChIKeyQVAGOPRRTSZXGL-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(aminomethyl)piperidine-1-carboxylate (CID 55210350) is phenyl 4-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(aminomethyl)piperidine-1-carboxylate is NCC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is QVAGOPRRTSZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-10,14H2.
What are the key properties of phenyl 4-(aminomethyl)piperidine-1-carboxylate?
phenyl 4-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 55210350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).