1-(cyclobutylmethyl)piperazin-2-one;hydrochloride

C9H17ClN2O — CID 67085388

IUPAC1-(cyclobutylmethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CC1CCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9-6-10-4-5-11(9)7-8-2-1-3-8;/h8,10H,1-7H2;1H
InChIKeyISCUTNLOQJKGKJ-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.64
Rot. Bonds2

About 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride

1-(cyclobutylmethyl)piperazin-2-one;hydrochloride (PubChem CID 67085388) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(cyclobutylmethyl)piperazin-2-one;hydrochloride
PubChem CID67085388
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1-(cyclobutylmethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CC1CCC1
InChIInChI=1S/C9H16N2O.ClH/c12-9-6-10-4-5-11(9)7-8-2-1-3-8;/h8,10H,1-7H2;1H
InChIKeyISCUTNLOQJKGKJ-UHFFFAOYSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride (CID 67085388) is 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride?
The InChIKey is ISCUTNLOQJKGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c12-9-6-10-4-5-11(9)7-8-2-1-3-8;/h8,10H,1-7H2;1H.
What are the key properties of 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride?
1-(cyclobutylmethyl)piperazin-2-one;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 67085388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).