4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H21N3O — CID 62832639

IUPAC4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(OCCC3CCCCN3)n1)CCC2
InChIInChI=1S/C14H21N3O/c1-2-8-15-11(4-1)7-9-18-14-12-5-3-6-13(12)16-10-17-14/h10-11,15H,1-9H2
InChIKeyXSMJHOFKVLEROM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.88
Rot. Bonds4

About 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 62832639) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID62832639
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1nc2c(c(OCCC3CCCCN3)n1)CCC2
InChIInChI=1S/C14H21N3O/c1-2-8-15-11(4-1)7-9-18-14-12-5-3-6-13(12)16-10-17-14/h10-11,15H,1-9H2
InChIKeyXSMJHOFKVLEROM-UHFFFAOYSA-N
XLogP1.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 62832639) is 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1nc2c(c(OCCC3CCCCN3)n1)CCC2.
What is the InChIKey of 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XSMJHOFKVLEROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-8-15-11(4-1)7-9-18-14-12-5-3-6-13(12)16-10-17-14/h10-11,15H,1-9H2.
What are the key properties of 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 247.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-2-ylethoxy)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 62832639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).