piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride

C11H21ClN2O2 — CID 119031246

IUPACpiperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCCN1)N1CCCC1
InChIInChI=1S/C11H20N2O2.ClH/c14-11(13-7-3-4-8-13)15-9-10-5-1-2-6-12-10;/h10,12H,1-9H2;1H
InChIKeyIWPNXGNYBFNNJF-UHFFFAOYSA-N
MW248.75 g/mol
LogP1.78
Rot. Bonds2

About piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride

piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride (PubChem CID 119031246) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
PubChem CID119031246
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Namepiperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCCN1)N1CCCC1
InChIInChI=1S/C11H20N2O2.ClH/c14-11(13-7-3-4-8-13)15-9-10-5-1-2-6-12-10;/h10,12H,1-9H2;1H
InChIKeyIWPNXGNYBFNNJF-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
The IUPAC name of piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride (CID 119031246) is piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride.
What is the SMILES notation for piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
The canonical SMILES for piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride is Cl.O=C(OCC1CCCCN1)N1CCCC1.
What is the InChIKey of piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
The InChIKey is IWPNXGNYBFNNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c14-11(13-7-3-4-8-13)15-9-10-5-1-2-6-12-10;/h10,12H,1-9H2;1H.
What are the key properties of piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride?
piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-ylmethyl pyrrolidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 119031246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).