tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate

C14H24N4O2 — CID 60999570

IUPACtert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-6-4-12(5-7-18)15-8-11-9-16-17-10-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySGDHMONSOBRNLA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate (PubChem CID 60999570) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
PubChem CID60999570
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-6-4-12(5-7-18)15-8-11-9-16-17-10-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17)
InChIKeySGDHMONSOBRNLA-UHFFFAOYSA-N
XLogP1.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate (CID 60999570) is tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cn[nH]c2)CC1.
What is the InChIKey of tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is SGDHMONSOBRNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-6-4-12(5-7-18)15-8-11-9-16-17-10-11/h9-10,12,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 60999570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).