4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C18H22N4 — CID 56743255

IUPAC4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccc(C2CCN(c3ncnc4c3CCNC4)CC2)cc1
InChIInChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-7-10-22(11-8-15)18-16-6-9-19-12-17(16)20-13-21-18/h1-5,13,15,19H,6-12H2
InChIKeyOSHIPXFLQRTURA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.51
Rot. Bonds2

About 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 56743255) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID56743255
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1ccc(C2CCN(c3ncnc4c3CCNC4)CC2)cc1
InChIInChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-7-10-22(11-8-15)18-16-6-9-19-12-17(16)20-13-21-18/h1-5,13,15,19H,6-12H2
InChIKeyOSHIPXFLQRTURA-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 56743255) is 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1ccc(C2CCN(c3ncnc4c3CCNC4)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is OSHIPXFLQRTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-4-14(5-3-1)15-7-10-22(11-8-15)18-16-6-9-19-12-17(16)20-13-21-18/h1-5,13,15,19H,6-12H2.
What are the key properties of 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 294.40 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56743255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).