1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride

C11H18ClN3O — CID 162079828

IUPAC1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
SMILESCOc1cccnc1N1CCNCC1C.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-8-12-6-7-14(9)11-10(15-2)4-3-5-13-11;/h3-5,9,12H,6-8H2,1-2H3;1H
InChIKeyZCEOMCDMGCQRPV-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.31
Rot. Bonds2

About 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride

1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride (PubChem CID 162079828) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
PubChem CID162079828
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride
SMILESCOc1cccnc1N1CCNCC1C.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-9-8-12-6-7-14(9)11-10(15-2)4-3-5-13-11;/h3-5,9,12H,6-8H2,1-2H3;1H
InChIKeyZCEOMCDMGCQRPV-UHFFFAOYSA-N
XLogP1.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride (CID 162079828) is 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride is COc1cccnc1N1CCNCC1C.Cl.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride?
The InChIKey is ZCEOMCDMGCQRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-9-8-12-6-7-14(9)11-10(15-2)4-3-5-13-11;/h3-5,9,12H,6-8H2,1-2H3;1H.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride?
1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 162079828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).