(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride

C9H17ClN2O — CID 91641391

IUPAC(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCC1CC1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7-6-8(7)9(12)11-4-2-10-3-5-11;/h7-8,10H,2-6H2,1H3;1H
InChIKeyFLUXQMHDSQIXQN-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.50
Rot. Bonds1

About (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride

(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 91641391) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID91641391
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCC1CC1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H16N2O.ClH/c1-7-6-8(7)9(12)11-4-2-10-3-5-11;/h7-8,10H,2-6H2,1H3;1H
InChIKeyFLUXQMHDSQIXQN-UHFFFAOYSA-N
XLogP0.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride (CID 91641391) is (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride is CC1CC1C(=O)N1CCNCC1.Cl.
What is the InChIKey of (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is FLUXQMHDSQIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c1-7-6-8(7)9(12)11-4-2-10-3-5-11;/h7-8,10H,2-6H2,1H3;1H.
What are the key properties of (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride?
(2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 91641391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).