1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride

C24H35Cl3FN3 — CID 140734434

IUPAC1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride
SMILESCN1CCN(Cc2ccc(CNC3(c4ccccc4F)CCCC3)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C24H32FN3.3ClH/c1-27-14-16-28(17-15-27)19-21-10-8-20(9-11-21)18-26-24(12-4-5-13-24)22-6-2-3-7-23(22)25;;;/h2-3,6-11,26H,4-5,12-19H2,1H3;3*1H
InChIKeyCPFYBYDRHBOXFZ-UHFFFAOYSA-N
MW490.92 g/mol
LogP5.40
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride

1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride (PubChem CID 140734434) has the molecular formula C24H35Cl3FN3 and a molecular weight of 490.92 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride
PubChem CID140734434
Molecular FormulaC24H35Cl3FN3
Molecular Weight490.92 g/mol
Exact Mass489.19
IUPAC Name1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride
SMILESCN1CCN(Cc2ccc(CNC3(c4ccccc4F)CCCC3)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C24H32FN3.3ClH/c1-27-14-16-28(17-15-27)19-21-10-8-20(9-11-21)18-26-24(12-4-5-13-24)22-6-2-3-7-23(22)25;;;/h2-3,6-11,26H,4-5,12-19H2,1H3;3*1H
InChIKeyCPFYBYDRHBOXFZ-UHFFFAOYSA-N
XLogP5.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride (CID 140734434) is 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride is CN1CCN(Cc2ccc(CNC3(c4ccccc4F)CCCC3)cc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride?
The InChIKey is CPFYBYDRHBOXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3.3ClH/c1-27-14-16-28(17-15-27)19-21-10-8-20(9-11-21)18-26-24(12-4-5-13-24)22-6-2-3-7-23(22)25;;;/h2-3,6-11,26H,4-5,12-19H2,1H3;3*1H.
What are the key properties of 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride?
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride has a molecular weight of 490.92 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentan-1-amine;trihydrochloride is sourced from PubChem (CID 140734434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).