tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

C14H24N4O2 — CID 61285481

IUPACtert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)15-10-12-4-7-16-17-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,17)
InChIKeyVDNRTAKNYWWQLW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (PubChem CID 61285481) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
PubChem CID61285481
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2ccn[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)15-10-12-4-7-16-17-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,17)
InChIKeyVDNRTAKNYWWQLW-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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Related Compounds

tert-butyl 3,3-dimethyl-5-(1H-pyrazol-5-ylmethylamino)azepane-1-carboxylate
CID 154734047
tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
CID 75481386
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
CID 79462025
tert-butyl 4-methyl-4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 104956422
tert-butyl (3S)-3-methoxy-4-(1H-pyrazol-5-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845395
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 129400144
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 4-(pyrimidin-4-ylmethylamino)azepane-1-carboxylate
CID 107255037
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
tert-butyl N-[8-(1H-pyrazol-5-ylmethylamino)-3-bicyclo[3.2.1]octanyl]carbamate
CID 167885406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (CID 61285481) is tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2ccn[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is VDNRTAKNYWWQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-8-5-11(6-9-18)15-10-12-4-7-16-17-12/h4,7,11,15H,5-6,8-10H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 4-(1H-pyrazol-5-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-5-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 61285481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).