1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride

C14H24ClN3O — CID 117069096

IUPAC1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride
SMILESCC(C)COc1cccc(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-12(2)11-18-14-6-4-5-13(15-14)17-9-7-16(3)8-10-17;/h4-6,12H,7-11H2,1-3H3;1H
InChIKeyNVOFVZFITOSRJU-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.29
Rot. Bonds4

About 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride

1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride (PubChem CID 117069096) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride
PubChem CID117069096
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride
SMILESCC(C)COc1cccc(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-12(2)11-18-14-6-4-5-13(15-14)17-9-7-16(3)8-10-17;/h4-6,12H,7-11H2,1-3H3;1H
InChIKeyNVOFVZFITOSRJU-UHFFFAOYSA-N
XLogP2.29
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride (CID 117069096) is 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride is CC(C)COc1cccc(N2CCN(C)CC2)n1.Cl.
What is the InChIKey of 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is NVOFVZFITOSRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-12(2)11-18-14-6-4-5-13(15-14)17-9-7-16(3)8-10-17;/h4-6,12H,7-11H2,1-3H3;1H.
What are the key properties of 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride?
1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(2-methylpropoxy)-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 117069096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).