N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

C20H26FN3 — CID 56824359

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(NCc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H26FN3/c1-23-11-13-24(14-12-23)16-20(18-5-3-2-4-6-18)22-15-17-7-9-19(21)10-8-17/h2-10,20,22H,11-16H2,1H3
InChIKeyUXDCUGCABCVCQZ-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (PubChem CID 56824359) has the molecular formula C20H26FN3 and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
PubChem CID56824359
Molecular FormulaC20H26FN3
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(NCc2ccc(F)cc2)c2ccccc2)CC1
InChIInChI=1S/C20H26FN3/c1-23-11-13-24(14-12-23)16-20(18-5-3-2-4-6-18)22-15-17-7-9-19(21)10-8-17/h2-10,20,22H,11-16H2,1H3
InChIKeyUXDCUGCABCVCQZ-UHFFFAOYSA-N
XLogP2.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (CID 56824359) is N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is CN1CCN(CC(NCc2ccc(F)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The InChIKey is UXDCUGCABCVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3/c1-23-11-13-24(14-12-23)16-20(18-5-3-2-4-6-18)22-15-17-7-9-19(21)10-8-17/h2-10,20,22H,11-16H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine has a molecular weight of 327.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is sourced from PubChem (CID 56824359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).