2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

C18H31ClN2O — CID 18590771

IUPAC2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-19-4-6-20(7-5-19)13-17(21)18-10-14-2-3-15(11-18)9-16(8-14)12-18;/h14-16H,2-13H2,1H3;1H
InChIKeyFPKKTXOZNWGBNX-UHFFFAOYSA-N
MW326.91 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (PubChem CID 18590771) has the molecular formula C18H31ClN2O and a molecular weight of 326.91 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
PubChem CID18590771
Molecular FormulaC18H31ClN2O
Molecular Weight326.91 g/mol
Exact Mass326.21
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCN1CCN(CC(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl
InChIInChI=1S/C18H30N2O.ClH/c1-19-4-6-20(7-5-19)13-17(21)18-10-14-2-3-15(11-18)9-16(8-14)12-18;/h14-16H,2-13H2,1H3;1H
InChIKeyFPKKTXOZNWGBNX-UHFFFAOYSA-N
XLogP2.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.91
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (CID 18590771) is 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is CN1CCN(CC(=O)C23CC4CCC(CC(C4)C2)C3)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The InChIKey is FPKKTXOZNWGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O.ClH/c1-19-4-6-20(7-5-19)13-17(21)18-10-14-2-3-15(11-18)9-16(8-14)12-18;/h14-16H,2-13H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride has a molecular weight of 326.91 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is sourced from PubChem (CID 18590771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).