methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate

C14H22N4O2 — CID 43462177

IUPACmethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3
InChIKeyVDXOGCMRZOFBSE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.74
Rot. Bonds5

About methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate

methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (PubChem CID 43462177) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
PubChem CID43462177
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3
InChIKeyVDXOGCMRZOFBSE-UHFFFAOYSA-N
XLogP0.74
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine
CID 61490854
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
CID 114461595
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 28744763
methyl 4-[4-(4-cyanophenyl)piperazin-1-yl]butanoate
CID 177042407
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The IUPAC name of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate (CID 43462177) is methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is COC(=O)CCCN1CCN(c2ncccc2N)CC1.
What is the InChIKey of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
The InChIKey is VDXOGCMRZOFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-13(19)5-3-7-17-8-10-18(11-9-17)14-12(15)4-2-6-16-14/h2,4,6H,3,5,7-11,15H2,1H3.
What are the key properties of methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate?
methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate has a molecular weight of 278.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 43462177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).