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

C12H18N4 — CID 115030908

IUPAC2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1nc(C2CCNCC2)nc2c1CCNC2
InChIInChI=1S/C12H18N4/c1-4-13-5-2-9(1)12-15-7-10-3-6-14-8-11(10)16-12/h7,9,13-14H,1-6,8H2
InChIKeyHUCQYUQBBRDOKH-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.59
Rot. Bonds1

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

2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 115030908) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID115030908
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1nc(C2CCNCC2)nc2c1CCNC2
InChIInChI=1S/C12H18N4/c1-4-13-5-2-9(1)12-15-7-10-3-6-14-8-11(10)16-12/h7,9,13-14H,1-6,8H2
InChIKeyHUCQYUQBBRDOKH-UHFFFAOYSA-N
XLogP0.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84732954
2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115025453
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738447
2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 54592647
2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738356
phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92574070
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
methane;5-methyl-2-piperidin-4-ylpyrimidine
CID 157310053
6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92570262
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 129287120
2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 54005564
4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
CID 117100843

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 115030908) is 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1nc(C2CCNCC2)nc2c1CCNC2.
What is the InChIKey of 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is HUCQYUQBBRDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-13-5-2-9(1)12-15-7-10-3-6-14-8-11(10)16-12/h7,9,13-14H,1-6,8H2.
What are the key properties of 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 115030908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).