1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine

C19H22ClFN2 — CID 18423146

IUPAC1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
SMILESCC(c1ccc(CCl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN2/c1-15(17-4-2-16(14-20)3-5-17)22-10-12-23(13-11-22)19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3
InChIKeyQASNHPVEOQLBNV-UHFFFAOYSA-N
MW332.85 g/mol
LogP4.45
Rot. Bonds4

About 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine

1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine (PubChem CID 18423146) has the molecular formula C19H22ClFN2 and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
PubChem CID18423146
Molecular FormulaC19H22ClFN2
Molecular Weight332.85 g/mol
Exact Mass332.15
IUPAC Name1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
SMILESCC(c1ccc(CCl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22ClFN2/c1-15(17-4-2-16(14-20)3-5-17)22-10-12-23(13-11-22)19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3
InChIKeyQASNHPVEOQLBNV-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
CID 18423134
1-[bis(4-fluorophenyl)methyl]-4-(4-prop-2-enylphenyl)piperazine
CID 141151305
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 11588436
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine (CID 18423146) is 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine is CC(c1ccc(CCl)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is QASNHPVEOQLBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2/c1-15(17-4-2-16(14-20)3-5-17)22-10-12-23(13-11-22)19-8-6-18(21)7-9-19/h2-9,15H,10-14H2,1H3.
What are the key properties of 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine?
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 332.85 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 18423146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).