[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate

C15H24N4O2 — CID 174481180

IUPAC[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCCC1C(N)c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)14(20)21-19-10-5-4-7-11(19)12(16)13-17-8-6-9-18-13/h6,8-9,11-12H,4-5,7,10,16H2,1-3H3
InChIKeyVLZQFZSMNUAMHV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds3

About [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate

[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174481180) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174481180
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCCC1C(N)c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)14(20)21-19-10-5-4-7-11(19)12(16)13-17-8-6-9-18-13/h6,8-9,11-12H,4-5,7,10,16H2,1-3H3
InChIKeyVLZQFZSMNUAMHV-UHFFFAOYSA-N
XLogP1.84
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1-amino-4-cyanobutyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 175605791
(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 130129550
[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174530094
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
[(2S)-2-[2-(3-phenoxyphenoxy)ethyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175287660
[(2R)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174594323
[(2R)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174594287
[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
CID 168867812
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
[(2S)-2-(3,5-difluorobenzoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174973192
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119437418

Frequently Asked Questions

What is the IUPAC name of [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174481180) is [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCCC1C(N)c1ncccn1.
What is the InChIKey of [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is VLZQFZSMNUAMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)14(20)21-19-10-5-4-7-11(19)12(16)13-17-8-6-9-18-13/h6,8-9,11-12H,4-5,7,10,16H2,1-3H3.
What are the key properties of [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 292.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[amino(pyrimidin-2-yl)methyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).