tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate

C15H23N3O3 — CID 70571171

IUPACtert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
SMILESCOc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13/h5-7H,8-11H2,1-4H3
InChIKeyWBUKIACBPKLOJO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.15
Rot. Bonds2

About tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 70571171) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
PubChem CID70571171
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
SMILESCOc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13/h5-7H,8-11H2,1-4H3
InChIKeyWBUKIACBPKLOJO-UHFFFAOYSA-N
XLogP2.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperazine-1-carboxylate
CID 58247494
tert-butyl 4-[3-(acetamidocarbamoyl)-2-pyridinyl]piperazine-1-carboxylate
CID 139512603
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
tert-butyl 4-[3-(2,3,4,5-tetrahydropyridin-6-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541732
tert-butyl 4-[3-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541722
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate (CID 70571171) is tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate is COc1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is WBUKIACBPKLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-10-8-17(9-11-18)13-12(20-4)6-5-7-16-13/h5-7H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 70571171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).