tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate

C16H26N4O3 — CID 126847305

IUPACtert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNCc2cnccn2)CC1
InChIInChI=1S/C16H26N4O3/c1-15(2,3)23-14(21)20-8-4-16(22,5-9-20)12-18-11-13-10-17-6-7-19-13/h6-7,10,18,22H,4-5,8-9,11-12H2,1-3H3
InChIKeyZGIAUIOSMXBNCX-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.33
Rot. Bonds4

About tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate (PubChem CID 126847305) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
PubChem CID126847305
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CNCc2cnccn2)CC1
InChIInChI=1S/C16H26N4O3/c1-15(2,3)23-14(21)20-8-4-16(22,5-9-20)12-18-11-13-10-17-6-7-19-13/h6-7,10,18,22H,4-5,8-9,11-12H2,1-3H3
InChIKeyZGIAUIOSMXBNCX-UHFFFAOYSA-N
XLogP1.33
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[2-(pyrazin-2-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249133
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl 4-[(4-aminobutylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847200
tert-butyl 4-[[(3-amino-2-methylimidazole-4-carbonyl)amino]methyl]-4-hydroxypiperidine-1-carboxylate
CID 145116232
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258
tert-butyl 4-hydroxy-4-[(5-methoxy-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 162725796
tert-butyl 3-(pyrazin-2-ylmethoxy)pyrrolidine-1-carboxylate
CID 71629755
tert-butyl (4S)-3,3-difluoro-4-(2-pyrazin-2-ylethyl)piperidine-1-carboxylate
CID 147214057

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate (CID 126847305) is tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CNCc2cnccn2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is ZGIAUIOSMXBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-15(2,3)23-14(21)20-8-4-16(22,5-9-20)12-18-11-13-10-17-6-7-19-13/h6-7,10,18,22H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 126847305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).