1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine

C15H25N3O — CID 126752874

IUPAC1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCOc1ncc(CN2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H25N3O/c1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14/h9-10,12H,5-8,11H2,1-4H3
InChIKeyHQMLPADACTUIRX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds4

About 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine

1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 126752874) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
PubChem CID126752874
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine
SMILESCOc1ncc(CN2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C15H25N3O/c1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14/h9-10,12H,5-8,11H2,1-4H3
InChIKeyHQMLPADACTUIRX-UHFFFAOYSA-N
XLogP1.92
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 828691
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
dicopper;5-[[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]methyl]-2-formyl-3-methylphenolate;trichloride
CID 71721982
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
1-[(6-tert-butyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 158191429
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
4-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
CID 69199084
N-[(5-bromo-2-methoxy-3-pyridinyl)sulfanyl]-2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine
CID 145350608
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine (CID 126752874) is 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine is COc1ncc(CN2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is HQMLPADACTUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine?
1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 263.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 126752874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).