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

C14H22N4 — CID 81222689

IUPAC4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(C)CCCN(c2ncnc3c2CNCC3)C1
InChIInChI=1S/C14H22N4/c1-14(2)5-3-7-18(9-14)13-11-8-15-6-4-12(11)16-10-17-13/h10,15H,3-9H2,1-2H3
InChIKeyXUBIKPAZFFEKCU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.75
Rot. Bonds1

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

4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81222689) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81222689
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1(C)CCCN(c2ncnc3c2CNCC3)C1
InChIInChI=1S/C14H22N4/c1-14(2)5-3-7-18(9-14)13-11-8-15-6-4-12(11)16-10-17-13/h10,15H,3-9H2,1-2H3
InChIKeyXUBIKPAZFFEKCU-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81222689) is 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1(C)CCCN(c2ncnc3c2CNCC3)C1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is XUBIKPAZFFEKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-14(2)5-3-7-18(9-14)13-11-8-15-6-4-12(11)16-10-17-13/h10,15H,3-9H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81222689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).