5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane

C17H31N3 — CID 145380179

IUPAC5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
SMILESCCC.CCc1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C14H23N3.C3H8/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)3;1-3-2/h9-11,13H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyWSPHHIQWXBRUEI-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.33
Rot. Bonds3

About 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane

5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane (PubChem CID 145380179) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane.

Molecular Properties

Compound Name5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
PubChem CID145380179
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
SMILESCCC.CCc1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C14H23N3.C3H8/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)3;1-3-2/h9-11,13H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyWSPHHIQWXBRUEI-UHFFFAOYSA-N
XLogP4.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
5-ethyl-2-[4-[(1S)-1-methoxyethyl]piperidin-1-yl]pyrimidine
CID 131998372
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 59474375
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
2-(4-propan-2-ylpiperidin-1-yl)pyrimidine-5-sulfinate
CID 166900854

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane?
The IUPAC name of 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane (CID 145380179) is 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane.
What is the SMILES notation for 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane?
The canonical SMILES for 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane is CCC.CCc1cnc(N2CCC(C(C)C)CC2)nc1.
What is the InChIKey of 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane?
The InChIKey is WSPHHIQWXBRUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C3H8/c1-4-12-9-15-14(16-10-12)17-7-5-13(6-8-17)11(2)3;1-3-2/h9-11,13H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane?
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane has a molecular weight of 277.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane is sourced from PubChem (CID 145380179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).