(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride

C11H16ClN3O — CID 110755354

IUPAC(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccncc2)CC1.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h2-5H,6-9H2,1H3;1H
InChIKeyHQCQISURRPLGRS-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.89
Rot. Bonds1

About (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride

(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride (PubChem CID 110755354) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
PubChem CID110755354
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)c2ccncc2)CC1.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h2-5H,6-9H2,1H3;1H
InChIKeyHQCQISURRPLGRS-UHFFFAOYSA-N
XLogP0.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142705499
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
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[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
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(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
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(4-methylpiperazin-1-yl)-[4-[(2S)-3-methyl-1-pyridin-4-ylbutan-2-yl]phenyl]methanone
CID 59097818
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
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4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
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CID 90205745

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride (CID 110755354) is (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride is CN1CCN(C(=O)c2ccncc2)CC1.Cl.
What is the InChIKey of (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
The InChIKey is HQCQISURRPLGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h2-5H,6-9H2,1H3;1H.
What are the key properties of (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride?
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 110755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).