1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol

C15H28N4O2 — CID 102960925

IUPAC1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCOCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1
InChIInChI=1S/C15H28N4O2/c1-11-5-7-19(10-14(11)20)15-13(9-16-6-8-21-4)12(2)17-18(15)3/h11,14,16,20H,5-10H2,1-4H3
InChIKeyNWSRXIHWCCDZDR-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.67
Rot. Bonds6

About 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol

1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol (PubChem CID 102960925) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
PubChem CID102960925
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
SMILESCOCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1
InChIInChI=1S/C15H28N4O2/c1-11-5-7-19(10-14(11)20)15-13(9-16-6-8-21-4)12(2)17-18(15)3/h11,14,16,20H,5-10H2,1-4H3
InChIKeyNWSRXIHWCCDZDR-UHFFFAOYSA-N
XLogP0.67
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102959804
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104959480
N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]pyrrolidin-3-ol
CID 62941352
1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679359
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
CID 55131179
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol (CID 102960925) is 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol is COCCNCc1c(C)nn(C)c1N1CCC(C)C(O)C1.
What is the InChIKey of 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
The InChIKey is NWSRXIHWCCDZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-5-7-19(10-14(11)20)15-13(9-16-6-8-21-4)12(2)17-18(15)3/h11,14,16,20H,5-10H2,1-4H3.
What are the key properties of 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol?
1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol has a molecular weight of 296.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102960925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).