tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate

C17H28N4O2 — CID 103778032

IUPACtert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnc(CNCC2CCCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H28N4O2/c1-13-9-20-14(11-19-13)10-18-12-15-7-5-6-8-21(15)16(22)23-17(2,3)4/h9,11,15,18H,5-8,10,12H2,1-4H3
InChIKeyWUWRBODMJHTMJO-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.66
Rot. Bonds4

About tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 103778032) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID103778032
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate
SMILESCc1cnc(CNCC2CCCCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H28N4O2/c1-13-9-20-14(11-19-13)10-18-12-15-7-5-6-8-21(15)16(22)23-17(2,3)4/h9,11,15,18H,5-8,10,12H2,1-4H3
InChIKeyWUWRBODMJHTMJO-UHFFFAOYSA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl 2-[[(2-chloropyrimidin-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 71631733
tert-butyl 2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103698775
tert-butyl 2-[[(4-methyl-3-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634517
tert-butyl 2-[[(3-methyl-4-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 106634508
tert-butyl 2-[(1,2-oxazol-3-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 106638873
tert-butyl 2-[[(3-ethylimidazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 107246802
tert-butyl (2S)-2-[[(2,4-dichloropyrimidin-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97172791
tert-butyl (2R)-2-[[(6-bromo-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97172776
tert-butyl 2-[[(2,6-dichlorophenyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107248919
tert-butyl (2R)-2-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172788
tert-butyl 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 106393232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate (CID 103778032) is tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate is Cc1cnc(CNCC2CCCCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is WUWRBODMJHTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-9-20-14(11-19-13)10-18-12-15-7-5-6-8-21(15)16(22)23-17(2,3)4/h9,11,15,18H,5-8,10,12H2,1-4H3.
What are the key properties of tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(5-methylpyrazin-2-yl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103778032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).