benzyl 3-aminopiperidine-1-carboxylate

C13H18N2O2 — CID 2756612

IUPACbenzyl 3-aminopiperidine-1-carboxylate
SMILESNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyPBFBPDLWODIXHK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds2

About benzyl 3-aminopiperidine-1-carboxylate

benzyl 3-aminopiperidine-1-carboxylate (PubChem CID 2756612) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is benzyl 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-aminopiperidine-1-carboxylate
PubChem CID2756612
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namebenzyl 3-aminopiperidine-1-carboxylate
SMILESNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKeyPBFBPDLWODIXHK-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-aminopiperidine-1-carboxylate?
The IUPAC name of benzyl 3-aminopiperidine-1-carboxylate (CID 2756612) is benzyl 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-aminopiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-aminopiperidine-1-carboxylate is NC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-aminopiperidine-1-carboxylate?
The InChIKey is PBFBPDLWODIXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2.
What are the key properties of benzyl 3-aminopiperidine-1-carboxylate?
benzyl 3-aminopiperidine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 2756612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).