1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine

C16H30N4 — CID 103614691

IUPAC1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H30N4/c1-12(2)11-20-8-6-15(7-9-20)17-10-16-13(3)18-19(5)14(16)4/h12,15,17H,6-11H2,1-5H3
InChIKeyCACJCPVVBXIWFS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.25
Rot. Bonds5

About 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine

1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 103614691) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID103614691
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C16H30N4/c1-12(2)11-20-8-6-15(7-9-20)17-10-16-13(3)18-19(5)14(16)4/h12,15,17H,6-11H2,1-5H3
InChIKeyCACJCPVVBXIWFS-UHFFFAOYSA-N
XLogP2.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 103614691) is 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1nn(C)c(C)c1CNC1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is CACJCPVVBXIWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)11-20-8-6-15(7-9-20)17-10-16-13(3)18-19(5)14(16)4/h12,15,17H,6-11H2,1-5H3.
What are the key properties of 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 103614691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).