4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine

C21H25N7 — CID 39309947

IUPAC4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine
SMILESc1ccc(N2CCN(c3nc(N4CCCCC4)nc4nccnc34)CC2)cc1
InChIInChI=1S/C21H25N7/c1-3-7-17(8-4-1)26-13-15-27(16-14-26)20-18-19(23-10-9-22-18)24-21(25-20)28-11-5-2-6-12-28/h1,3-4,7-10H,2,5-6,11-16H2
InChIKeyUGQRSEVTVBUWSQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine

4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine (PubChem CID 39309947) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine
PubChem CID39309947
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine
SMILESc1ccc(N2CCN(c3nc(N4CCCCC4)nc4nccnc34)CC2)cc1
InChIInChI=1S/C21H25N7/c1-3-7-17(8-4-1)26-13-15-27(16-14-26)20-18-19(23-10-9-22-18)24-21(25-20)28-11-5-2-6-12-28/h1,3-4,7-10H,2,5-6,11-16H2
InChIKeyUGQRSEVTVBUWSQ-UHFFFAOYSA-N
XLogP2.74
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine (CID 39309947) is 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine is c1ccc(N2CCN(c3nc(N4CCCCC4)nc4nccnc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine?
The InChIKey is UGQRSEVTVBUWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-3-7-17(8-4-1)26-13-15-27(16-14-26)20-18-19(23-10-9-22-18)24-21(25-20)28-11-5-2-6-12-28/h1,3-4,7-10H,2,5-6,11-16H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine?
4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine has a molecular weight of 375.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpteridine is sourced from PubChem (CID 39309947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).