piperazin-2-ylmethyl piperidine-1-carboxylate

C11H21N3O2 — CID 10661916

IUPACpiperazin-2-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CNCCN1)N1CCCCC1
InChIInChI=1S/C11H21N3O2/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10/h10,12-13H,1-9H2
InChIKeyHEMYQLSQYZHWLT-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.17
Rot. Bonds2

About piperazin-2-ylmethyl piperidine-1-carboxylate

piperazin-2-ylmethyl piperidine-1-carboxylate (PubChem CID 10661916) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is piperazin-2-ylmethyl piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperazin-2-ylmethyl piperidine-1-carboxylate
PubChem CID10661916
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namepiperazin-2-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CNCCN1)N1CCCCC1
InChIInChI=1S/C11H21N3O2/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10/h10,12-13H,1-9H2
InChIKeyHEMYQLSQYZHWLT-UHFFFAOYSA-N
XLogP0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethyl piperidine-1-carboxylate?
The IUPAC name of piperazin-2-ylmethyl piperidine-1-carboxylate (CID 10661916) is piperazin-2-ylmethyl piperidine-1-carboxylate.
What is the SMILES notation for piperazin-2-ylmethyl piperidine-1-carboxylate?
The canonical SMILES for piperazin-2-ylmethyl piperidine-1-carboxylate is O=C(OCC1CNCCN1)N1CCCCC1.
What is the InChIKey of piperazin-2-ylmethyl piperidine-1-carboxylate?
The InChIKey is HEMYQLSQYZHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10/h10,12-13H,1-9H2.
What are the key properties of piperazin-2-ylmethyl piperidine-1-carboxylate?
piperazin-2-ylmethyl piperidine-1-carboxylate has a molecular weight of 227.31 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethyl piperidine-1-carboxylate is sourced from PubChem (CID 10661916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).