[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C14H22N4O2 — CID 174721981

IUPAC[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cncc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)20-18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17)
InChIKeyNCHVZGOGNQDSFK-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.74
Rot. Bonds2

About [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174721981) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174721981
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cncc(N)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)20-18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17)
InChIKeyNCHVZGOGNQDSFK-UHFFFAOYSA-N
XLogP1.74
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175024040
[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963
[4-(5-amino-6-bromopyrazin-2-yl)piperidin-1-yl] acetate
CID 174798422
[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174731871
[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174616710
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-[4-(2,2-dibromoethenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174733711
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 171572343
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-[4-amino-2-(aminomethyl)-5-propan-2-ylphenyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174785777

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174721981) is [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2cncc(N)n2)CC1.
What is the InChIKey of [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is NCHVZGOGNQDSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(19)20-18-6-4-10(5-7-18)11-8-16-9-12(15)17-11/h8-10H,4-7H2,1-3H3,(H2,15,17).
What are the key properties of [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 278.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).