azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

C13H26ClN3O — CID 117068106

IUPACazocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)N2CCCCCCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-14-9-11-16(12-10-14)13(17)15-7-5-3-2-4-6-8-15;/h2-12H2,1H3;1H
InChIKeyPLWRUTWPIFOPCG-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.04
Rot. Bonds

About azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 117068106) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Nameazocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID117068106
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Nameazocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)N2CCCCCCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-14-9-11-16(12-10-14)13(17)15-7-5-3-2-4-6-8-15;/h2-12H2,1H3;1H
InChIKeyPLWRUTWPIFOPCG-UHFFFAOYSA-N
XLogP2.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 117068106) is azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)N2CCCCCCC2)CC1.Cl.
What is the InChIKey of azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is PLWRUTWPIFOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-14-9-11-16(12-10-14)13(17)15-7-5-3-2-4-6-8-15;/h2-12H2,1H3;1H.
What are the key properties of azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 117068106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).