2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C15H28N4 — CID 61239722

IUPAC2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCN1CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-12-5-8-19(9-6-12)10-7-16-11-15-13(2)17-18(4)14(15)3/h12,16H,5-11H2,1-4H3
InChIKeyOLHJPPVWRRNYAD-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 61239722) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID61239722
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCCN1CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-12-5-8-19(9-6-12)10-7-16-11-15-13(2)17-18(4)14(15)3/h12,16H,5-11H2,1-4H3
InChIKeyOLHJPPVWRRNYAD-UHFFFAOYSA-N
XLogP1.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-methyl-1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111952872
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115600656
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 61240480
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111786688
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 103614691

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 61239722) is 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNCCN1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OLHJPPVWRRNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12-5-8-19(9-6-12)10-7-16-11-15-13(2)17-18(4)14(15)3/h12,16H,5-11H2,1-4H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61239722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).