piperidin-1-ylmethyl piperidine-1-carboxylate

C12H22N2O2 — CID 71091864

IUPACpiperidin-1-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-11H2
InChIKeyIDGLDLAOYFHXSI-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.05
Rot. Bonds2

About piperidin-1-ylmethyl piperidine-1-carboxylate

piperidin-1-ylmethyl piperidine-1-carboxylate (PubChem CID 71091864) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is piperidin-1-ylmethyl piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-1-ylmethyl piperidine-1-carboxylate
PubChem CID71091864
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namepiperidin-1-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCN1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-11H2
InChIKeyIDGLDLAOYFHXSI-UHFFFAOYSA-N
XLogP2.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethyl piperidine-1-carboxylate?
The IUPAC name of piperidin-1-ylmethyl piperidine-1-carboxylate (CID 71091864) is piperidin-1-ylmethyl piperidine-1-carboxylate.
What is the SMILES notation for piperidin-1-ylmethyl piperidine-1-carboxylate?
The canonical SMILES for piperidin-1-ylmethyl piperidine-1-carboxylate is O=C(OCN1CCCCC1)N1CCCCC1.
What is the InChIKey of piperidin-1-ylmethyl piperidine-1-carboxylate?
The InChIKey is IDGLDLAOYFHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-11H2.
What are the key properties of piperidin-1-ylmethyl piperidine-1-carboxylate?
piperidin-1-ylmethyl piperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethyl piperidine-1-carboxylate is sourced from PubChem (CID 71091864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).