2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

C15H24N4O — CID 75432350

IUPAC2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(OCCN3CCCCC3)C2)nc1
InChIInChI=1S/C15H24N4O/c1-2-8-18(9-3-1)11-12-20-14-5-10-19(13-14)15-16-6-4-7-17-15/h4,6-7,14H,1-3,5,8-13H2
InChIKeyOJWRUQUSLZWRHO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.56
Rot. Bonds5

About 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 75432350) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID75432350
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(OCCN3CCCCC3)C2)nc1
InChIInChI=1S/C15H24N4O/c1-2-8-18(9-3-1)11-12-20-14-5-10-19(13-14)15-16-6-4-7-17-15/h4,6-7,14H,1-3,5,8-13H2
InChIKeyOJWRUQUSLZWRHO-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Chloropyrimidin-4-yl)morpholine
CID 1714697
2-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyrimidine
CID 44325893
Cor 3286
CID 86184
1-(Pyrimidin-2-yl)piperidin-4-ol
CID 20234098
(4-(Pyrimidin-2-yl)morpholin-2-yl)methanol
CID 54423499
2-(2-Pyrrolidin-1-yl-ethoxy)-pyrimidine
CID 44325591
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
2-Tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 71845929

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 75432350) is 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is c1cnc(N2CCC(OCCN3CCCCC3)C2)nc1.
What is the InChIKey of 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is OJWRUQUSLZWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-8-18(9-3-1)11-12-20-14-5-10-19(13-14)15-16-6-4-7-17-15/h4,6-7,14H,1-3,5,8-13H2.
What are the key properties of 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 276.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 75432350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).