N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine

C17H32N4 — CID 83075690

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2cn(C)nc2C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-13(2)21-9-7-15(8-10-21)18-11-14-12-20(6)19-16(14)17(3,4)5/h12-13,15,18H,7-11H2,1-6H3
InChIKeyHPBOGYIUMCIBBQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.68
Rot. Bonds4

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

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 83075690) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID83075690
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2cn(C)nc2C(C)(C)C)CC1
InChIInChI=1S/C17H32N4/c1-13(2)21-9-7-15(8-10-21)18-11-14-12-20(6)19-16(14)17(3,4)5/h12-13,15,18H,7-11H2,1-6H3
InChIKeyHPBOGYIUMCIBBQ-UHFFFAOYSA-N
XLogP2.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 83082207
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 114110449
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023284
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-methylpiperidine-2,6-dione
CID 83090356
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 83093071
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 83088814
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine (CID 83075690) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2cn(C)nc2C(C)(C)C)CC1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is HPBOGYIUMCIBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13(2)21-9-7-15(8-10-21)18-11-14-12-20(6)19-16(14)17(3,4)5/h12-13,15,18H,7-11H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 292.47 g/mol, XLogP of 2.68, 4 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]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 83075690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).