2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine

C22H22N4 — CID 10450082

IUPAC2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1
InChIInChI=1S/C22H22N4/c1-2-7-19-17(5-1)15-21-18(6-3-8-20(19)21)16-25-11-13-26(14-12-25)22-23-9-4-10-24-22/h1-10H,11-16H2
InChIKeySRKMMWQNEAUSLE-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.37
Rot. Bonds3

About 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine

2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 10450082) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID10450082
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1
InChIInChI=1S/C22H22N4/c1-2-7-19-17(5-1)15-21-18(6-3-8-20(19)21)16-25-11-13-26(14-12-25)22-23-9-4-10-24-22/h1-10H,11-16H2
InChIKeySRKMMWQNEAUSLE-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine (CID 10450082) is 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(Cc3cccc4c3Cc3ccccc3-4)CC2)nc1.
What is the InChIKey of 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is SRKMMWQNEAUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-2-7-19-17(5-1)15-21-18(6-3-8-20(19)21)16-25-11-13-26(14-12-25)22-23-9-4-10-24-22/h1-10H,11-16H2.
What are the key properties of 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine?
2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 342.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-1-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10450082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).