N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine

C13H24N4 — CID 63636731

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cnn(C)c1)C1CCCNC1
InChIInChI=1S/C13H24N4/c1-3-7-17(13-5-4-6-14-9-13)11-12-8-15-16(2)10-12/h8,10,13-14H,3-7,9,11H2,1-2H3
InChIKeyUDVXMCARNJWJCH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine

N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63636731) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID63636731
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cnn(C)c1)C1CCCNC1
InChIInChI=1S/C13H24N4/c1-3-7-17(13-5-4-6-14-9-13)11-12-8-15-16(2)10-12/h8,10,13-14H,3-7,9,11H2,1-2H3
InChIKeyUDVXMCARNJWJCH-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 63636647
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine (CID 63636731) is N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cnn(C)c1)C1CCCNC1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is UDVXMCARNJWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-7-17(13-5-4-6-14-9-13)11-12-8-15-16(2)10-12/h8,10,13-14H,3-7,9,11H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine?
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).