2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C18H22N4 — CID 3654198

IUPAC2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCCCC4)n2)CNCC3)cc1
InChIInChI=1S/C18H22N4/c1-3-7-14(8-4-1)17-20-16-9-10-19-13-15(16)18(21-17)22-11-5-2-6-12-22/h1,3-4,7-8,19H,2,5-6,9-13H2
InChIKeyFIYSOOKEMSSYOM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.78
Rot. Bonds2

About 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 3654198) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID3654198
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCCCC4)n2)CNCC3)cc1
InChIInChI=1S/C18H22N4/c1-3-7-14(8-4-1)17-20-16-9-10-19-13-15(16)18(21-17)22-11-5-2-6-12-22/h1,3-4,7-8,19H,2,5-6,9-13H2
InChIKeyFIYSOOKEMSSYOM-UHFFFAOYSA-N
XLogP2.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 3654198) is 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1ccc(-c2nc3c(c(N4CCCCC4)n2)CNCC3)cc1.
What is the InChIKey of 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is FIYSOOKEMSSYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-3-7-14(8-4-1)17-20-16-9-10-19-13-15(16)18(21-17)22-11-5-2-6-12-22/h1,3-4,7-8,19H,2,5-6,9-13H2.
What are the key properties of 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 294.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 3654198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).