piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride

C11H22ClN3O2 — CID 18623795

IUPACpiperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CNCCN1)N1CCCCC1
InChIInChI=1S/C11H21N3O2.ClH/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10;/h10,12-13H,1-9H2;1H
InChIKeyCAPYBMQJYFMNNM-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.59
Rot. Bonds2

About piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride

piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride (PubChem CID 18623795) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride
PubChem CID18623795
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Namepiperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CNCCN1)N1CCCCC1
InChIInChI=1S/C11H21N3O2.ClH/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10;/h10,12-13H,1-9H2;1H
InChIKeyCAPYBMQJYFMNNM-UHFFFAOYSA-N
XLogP0.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.59
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;hydrochloride?
The IUPAC name of piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride (CID 18623795) is piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride is Cl.O=C(OCC1CNCCN1)N1CCCCC1.
What is the InChIKey of piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride?
The InChIKey is CAPYBMQJYFMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c15-11(14-6-2-1-3-7-14)16-9-10-8-12-4-5-13-10;/h10,12-13H,1-9H2;1H.
What are the key properties of piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride?
piperazin-2-ylmethyl piperidine-1-carboxylate;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.59, 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;hydrochloride is sourced from PubChem (CID 18623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).