N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine

C16H30N4 — CID 83089082

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H30N4/c1-12-8-7-9-13(2)20(12)17-10-14-11-19(6)18-15(14)16(3,4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyKUHJOCFMGUZZQS-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.99
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83089082) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83089082
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H30N4/c1-12-8-7-9-13(2)20(12)17-10-14-11-19(6)18-15(14)16(3,4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyKUHJOCFMGUZZQS-UHFFFAOYSA-N
XLogP2.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine (CID 83089082) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NCc1cn(C)nc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is KUHJOCFMGUZZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-8-7-9-13(2)20(12)17-10-14-11-19(6)18-15(14)16(3,4)5/h11-13,17H,7-10H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83089082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).