tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate

C16H28N4O2 — CID 107255144

IUPACtert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)C(C)C1)c1ccn[nH]1
InChIInChI=1S/C16H28N4O2/c1-11-10-13(18-12(2)14-6-8-17-19-14)7-9-20(11)15(21)22-16(3,4)5/h6,8,11-13,18H,7,9-10H2,1-5H3,(H,17,19)
InChIKeyHUXRBPLTNPTPLT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate

tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 107255144) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID107255144
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCC(NC1CCN(C(=O)OC(C)(C)C)C(C)C1)c1ccn[nH]1
InChIInChI=1S/C16H28N4O2/c1-11-10-13(18-12(2)14-6-8-17-19-14)7-9-20(11)15(21)22-16(3,4)5/h6,8,11-13,18H,7,9-10H2,1-5H3,(H,17,19)
InChIKeyHUXRBPLTNPTPLT-UHFFFAOYSA-N
XLogP2.85
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107094437
tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
CID 107094441
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 2-methyl-4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 166514038
tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107095228
tert-butyl 4-(2-aminoanilino)-2-methylpiperidine-1-carboxylate
CID 118209044
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
tert-butyl 4-[[3-[(4-fluorophenyl)methyl]pyrazin-2-yl]amino]-2-methylpiperidine-1-carboxylate
CID 156875468
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate (CID 107255144) is tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate is CC(NC1CCN(C(=O)OC(C)(C)C)C(C)C1)c1ccn[nH]1.
What is the InChIKey of tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is HUXRBPLTNPTPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-10-13(18-12(2)14-6-8-17-19-14)7-9-20(11)15(21)22-16(3,4)5/h6,8,11-13,18H,7,9-10H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 308.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 107255144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).