3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

C14H26N4 — CID 43663301

IUPAC3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCC1CCN(CCCNCc2ccnn2C)CC1
InChIInChI=1S/C14H26N4/c1-13-5-10-18(11-6-13)9-3-7-15-12-14-4-8-16-17(14)2/h4,8,13,15H,3,5-7,9-12H2,1-2H3
InChIKeyQUTTZJCVSGAZCA-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.63
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 43663301) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID43663301
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCC1CCN(CCCNCc2ccnn2C)CC1
InChIInChI=1S/C14H26N4/c1-13-5-10-18(11-6-13)9-3-7-15-12-14-4-8-16-17(14)2/h4,8,13,15H,3,5-7,9-12H2,1-2H3
InChIKeyQUTTZJCVSGAZCA-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762329
3-(4-methylpiperidin-1-yl)-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66134575
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 43663301) is 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is CC1CCN(CCCNCc2ccnn2C)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is QUTTZJCVSGAZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-13-5-10-18(11-6-13)9-3-7-15-12-14-4-8-16-17(14)2/h4,8,13,15H,3,5-7,9-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43663301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).