2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

C13H20N4 — CID 55167443

IUPAC2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESc1cnc(N2CCC(C3CCCN3)CC2)nc1
InChIInChI=1S/C13H20N4/c1-3-12(14-6-1)11-4-9-17(10-5-11)13-15-7-2-8-16-13/h2,7-8,11-12,14H,1,3-6,9-10H2
InChIKeyBXASDQVXUUVTBG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds2

About 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 55167443) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
PubChem CID55167443
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESc1cnc(N2CCC(C3CCCN3)CC2)nc1
InChIInChI=1S/C13H20N4/c1-3-12(14-6-1)11-4-9-17(10-5-11)13-15-7-2-8-16-13/h2,7-8,11-12,14H,1,3-6,9-10H2
InChIKeyBXASDQVXUUVTBG-UHFFFAOYSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
CID 63257412
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
5-amino-4-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978043
4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 102793742
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63256925
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 114600863
7-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)thieno[3,2-d]pyrimidine
CID 102686848

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (CID 55167443) is 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is c1cnc(N2CCC(C3CCCN3)CC2)nc1.
What is the InChIKey of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is BXASDQVXUUVTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-12(14-6-1)11-4-9-17(10-5-11)13-15-7-2-8-16-13/h2,7-8,11-12,14H,1,3-6,9-10H2.
What are the key properties of 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 55167443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).