tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate

C18H32N4O2 — CID 56827321

IUPACtert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H32N4O2/c1-17(2,3)22-13-14(12-20-22)11-19-15-7-9-21(10-8-15)16(23)24-18(4,5)6/h12-13,15,19H,7-11H2,1-6H3
InChIKeyPHAZZIFIZIIQCR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate (PubChem CID 56827321) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
PubChem CID56827321
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1
InChIInChI=1S/C18H32N4O2/c1-17(2,3)22-13-14(12-20-22)11-19-15-7-9-21(10-8-15)16(23)24-18(4,5)6/h12-13,15,19H,7-11H2,1-6H3
InChIKeyPHAZZIFIZIIQCR-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate
CID 122241582
tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 45480389
tert-butyl 3-(1-methyl-1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 75422429
tert-butyl N-[2-ethyl-2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]butyl]carbamate
CID 53617797
Tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
CID 75473183
tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
CID 75505809
tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 99831339
Tert-butyl 3-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]azetidine-1-carboxylate
CID 119040734
Tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 126818100
tert-butyl (2R)-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
CID 126829238
1-(5-{[(1-tert-butyl-1H-pyrazol-4-yl)methyl]amino}-2-(trifluoromethyl)piperidin-1-yl)ethan-1-one
CID 137841554

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate (CID 56827321) is tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cnn(C(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is PHAZZIFIZIIQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-17(2,3)22-13-14(12-20-22)11-19-15-7-9-21(10-8-15)16(23)24-18(4,5)6/h12-13,15,19H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 56827321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).