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

C13H19FN4 — CID 142485671

IUPAC7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFCC1Cc2ncnc(C3CCNCC3)c2CN1
InChIInChI=1S/C13H19FN4/c14-6-10-5-12-11(7-16-10)13(18-8-17-12)9-1-3-15-4-2-9/h8-10,15-16H,1-7H2
InChIKeyCOPJKYZJZWCKLO-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.93
Rot. Bonds2

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

7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 142485671) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID142485671
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFCC1Cc2ncnc(C3CCNCC3)c2CN1
InChIInChI=1S/C13H19FN4/c14-6-10-5-12-11(7-16-10)13(18-8-17-12)9-1-3-15-4-2-9/h8-10,15-16H,1-7H2
InChIKeyCOPJKYZJZWCKLO-UHFFFAOYSA-N
XLogP0.93
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 142485671) is 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FCC1Cc2ncnc(C3CCNCC3)c2CN1.
What is the InChIKey of 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is COPJKYZJZWCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c14-6-10-5-12-11(7-16-10)13(18-8-17-12)9-1-3-15-4-2-9/h8-10,15-16H,1-7H2.
What are the key properties of 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 250.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-4-piperidin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 142485671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).