N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine

C24H30FN3 — CID 71162010

IUPACN-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine
SMILESCCc1cccc(CN2CCNC(c3ccc(F)cc3)/C2=N/C2CCCC2)c1
InChIInChI=1S/C24H30FN3/c1-2-18-6-5-7-19(16-18)17-28-15-14-26-23(20-10-12-21(25)13-11-20)24(28)27-22-8-3-4-9-22/h5-7,10-13,16,22-23,26H,2-4,8-9,14-15,17H2,1H3/b27-24-
InChIKeyGQEZMTXTQTZLMK-PNHLSOANSA-N
MW379.52 g/mol
LogP4.88
Rot. Bonds5

About N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine

N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine (PubChem CID 71162010) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine
PubChem CID71162010
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC NameN-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine
SMILESCCc1cccc(CN2CCNC(c3ccc(F)cc3)/C2=N/C2CCCC2)c1
InChIInChI=1S/C24H30FN3/c1-2-18-6-5-7-19(16-18)17-28-15-14-26-23(20-10-12-21(25)13-11-20)24(28)27-22-8-3-4-9-22/h5-7,10-13,16,22-23,26H,2-4,8-9,14-15,17H2,1H3/b27-24-
InChIKeyGQEZMTXTQTZLMK-PNHLSOANSA-N
XLogP4.88
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine?
The IUPAC name of N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine (CID 71162010) is N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine.
What is the SMILES notation for N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine?
The canonical SMILES for N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine is CCc1cccc(CN2CCNC(c3ccc(F)cc3)/C2=N/C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine?
The InChIKey is GQEZMTXTQTZLMK-PNHLSOANSA-N. The full InChI is InChI=1S/C24H30FN3/c1-2-18-6-5-7-19(16-18)17-28-15-14-26-23(20-10-12-21(25)13-11-20)24(28)27-22-8-3-4-9-22/h5-7,10-13,16,22-23,26H,2-4,8-9,14-15,17H2,1H3/b27-24-.
What are the key properties of N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine?
N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine has a molecular weight of 379.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3-ethylphenyl)methyl]-3-(4-fluorophenyl)piperazin-2-imine is sourced from PubChem (CID 71162010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).