benzyl 2-(aminomethyl)piperidine-1-carboxylate

C14H20N2O2 — CID 2756487

IUPACbenzyl 2-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2
InChIKeyWCYNFVPSBDRYJU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.14
Rot. Bonds3

About benzyl 2-(aminomethyl)piperidine-1-carboxylate

benzyl 2-(aminomethyl)piperidine-1-carboxylate (PubChem CID 2756487) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl 2-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(aminomethyl)piperidine-1-carboxylate
PubChem CID2756487
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl 2-(aminomethyl)piperidine-1-carboxylate
SMILESNCC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2
InChIKeyWCYNFVPSBDRYJU-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(aminomethyl)piperidine-1-carboxylate (CID 2756487) is benzyl 2-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(aminomethyl)piperidine-1-carboxylate is NCC1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is WCYNFVPSBDRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,15H2.
What are the key properties of benzyl 2-(aminomethyl)piperidine-1-carboxylate?
benzyl 2-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 2756487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).