cyclohexylmethyl piperazine-1-carboxylate;hydrochloride

C12H23ClN2O2 — CID 69144199

IUPACcyclohexylmethyl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O2.ClH/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;/h11,13H,1-10H2;1H
InChIKeyIALVWUWPXKXCJL-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.03
Rot. Bonds2

About cyclohexylmethyl piperazine-1-carboxylate;hydrochloride

cyclohexylmethyl piperazine-1-carboxylate;hydrochloride (PubChem CID 69144199) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is cyclohexylmethyl piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclohexylmethyl piperazine-1-carboxylate;hydrochloride
PubChem CID69144199
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Namecyclohexylmethyl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O2.ClH/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;/h11,13H,1-10H2;1H
InChIKeyIALVWUWPXKXCJL-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl piperazine-1-carboxylate;hydrochloride?
The IUPAC name of cyclohexylmethyl piperazine-1-carboxylate;hydrochloride (CID 69144199) is cyclohexylmethyl piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for cyclohexylmethyl piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for cyclohexylmethyl piperazine-1-carboxylate;hydrochloride is Cl.O=C(OCC1CCCCC1)N1CCNCC1.
What is the InChIKey of cyclohexylmethyl piperazine-1-carboxylate;hydrochloride?
The InChIKey is IALVWUWPXKXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11;/h11,13H,1-10H2;1H.
What are the key properties of cyclohexylmethyl piperazine-1-carboxylate;hydrochloride?
cyclohexylmethyl piperazine-1-carboxylate;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 69144199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).