ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate

C14H22N4O2 — CID 133365954

IUPACethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-4-20-13(19)11-6-9-18(10-7-11)14-15-8-5-12(16-14)17(2)3/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyVIANMQWMXKAOQW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.32
Rot. Bonds4

About ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate

ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate (PubChem CID 133365954) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
PubChem CID133365954
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-4-20-13(19)11-6-9-18(10-7-11)14-15-8-5-12(16-14)17(2)3/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyVIANMQWMXKAOQW-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357851
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
ethyl 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66503068
N-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335629
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 4184370
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502990
ethyl 1-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 66502845
3,4-dihydro-1H-isoquinolin-2-yl-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 171994717
3-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940763
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate (CID 133365954) is ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nccc(N(C)C)n2)CC1.
What is the InChIKey of ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate?
The InChIKey is VIANMQWMXKAOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-20-13(19)11-6-9-18(10-7-11)14-15-8-5-12(16-14)17(2)3/h5,8,11H,4,6-7,9-10H2,1-3H3.
What are the key properties of ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate?
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 133365954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).