2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine

C18H29FN4 — CID 15729908

IUPAC2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(CCCCC3CCCCC3)CC2)nc1
InChIInChI=1S/C18H29FN4/c19-17-14-20-18(21-15-17)23-12-10-22(11-13-23)9-5-4-8-16-6-2-1-3-7-16/h14-16H,1-13H2
InChIKeySOCOTIMMSIYXNA-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine

2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine (PubChem CID 15729908) has the molecular formula C18H29FN4 and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine
PubChem CID15729908
Molecular FormulaC18H29FN4
Molecular Weight320.46 g/mol
Exact Mass320.24
IUPAC Name2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(CCCCC3CCCCC3)CC2)nc1
InChIInChI=1S/C18H29FN4/c19-17-14-20-18(21-15-17)23-12-10-22(11-13-23)9-5-4-8-16-6-2-1-3-7-16/h14-16H,1-13H2
InChIKeySOCOTIMMSIYXNA-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine (CID 15729908) is 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine is Fc1cnc(N2CCN(CCCCC3CCCCC3)CC2)nc1.
What is the InChIKey of 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The InChIKey is SOCOTIMMSIYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4/c19-17-14-20-18(21-15-17)23-12-10-22(11-13-23)9-5-4-8-16-6-2-1-3-7-16/h14-16H,1-13H2.
What are the key properties of 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine has a molecular weight of 320.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylbutyl)piperazin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 15729908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).