piperidin-4-ylmethyl piperidine-1-carboxylate

C12H22N2O2 — CID 79337701

IUPACpiperidin-4-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-2-1-3-9-14)16-10-11-4-6-13-7-5-11/h11,13H,1-10H2
InChIKeyBQJZXAIZKPUGRV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds2

About piperidin-4-ylmethyl piperidine-1-carboxylate

piperidin-4-ylmethyl piperidine-1-carboxylate (PubChem CID 79337701) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is piperidin-4-ylmethyl piperidine-1-carboxylate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl piperidine-1-carboxylate
PubChem CID79337701
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namepiperidin-4-ylmethyl piperidine-1-carboxylate
SMILESO=C(OCC1CCNCC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-8-2-1-3-9-14)16-10-11-4-6-13-7-5-11/h11,13H,1-10H2
InChIKeyBQJZXAIZKPUGRV-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl piperidine-1-carboxylate?
The IUPAC name of piperidin-4-ylmethyl piperidine-1-carboxylate (CID 79337701) is piperidin-4-ylmethyl piperidine-1-carboxylate.
What is the SMILES notation for piperidin-4-ylmethyl piperidine-1-carboxylate?
The canonical SMILES for piperidin-4-ylmethyl piperidine-1-carboxylate is O=C(OCC1CCNCC1)N1CCCCC1.
What is the InChIKey of piperidin-4-ylmethyl piperidine-1-carboxylate?
The InChIKey is BQJZXAIZKPUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-8-2-1-3-9-14)16-10-11-4-6-13-7-5-11/h11,13H,1-10H2.
What are the key properties of piperidin-4-ylmethyl piperidine-1-carboxylate?
piperidin-4-ylmethyl piperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl piperidine-1-carboxylate is sourced from PubChem (CID 79337701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).