2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile

C12H16N4O — CID 107543802

IUPAC2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCCOC1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C12H16N4O/c1-2-17-11-4-7-16(8-5-11)12-14-6-3-10(9-13)15-12/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyAMVBYZDXPDBSIM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile

2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107543802) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107543802
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile
SMILESCCOC1CCN(c2nccc(C#N)n2)CC1
InChIInChI=1S/C12H16N4O/c1-2-17-11-4-7-16(8-5-11)12-14-6-3-10(9-13)15-12/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyAMVBYZDXPDBSIM-UHFFFAOYSA-N
XLogP1.35
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-(4-ethoxypiperidin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 133271291
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460
2-(3,3-diethylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107544838
4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 155941665
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545070

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile (CID 107543802) is 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile is CCOC1CCN(c2nccc(C#N)n2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is AMVBYZDXPDBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-17-11-4-7-16(8-5-11)12-14-6-3-10(9-13)15-12/h3,6,11H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile?
2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).