1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine

C15H20BrFN2 — CID 65013429

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C15H20BrFN2/c16-11-15(5-6-15)12-18-7-9-19(10-8-18)14-4-2-1-3-13(14)17/h1-4H,5-12H2
InChIKeyYGCLUHSJEXHQAT-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.12
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine

1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 65013429) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
PubChem CID65013429
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(CC2(CBr)CC2)CC1
InChIInChI=1S/C15H20BrFN2/c16-11-15(5-6-15)12-18-7-9-19(10-8-18)14-4-2-1-3-13(14)17/h1-4H,5-12H2
InChIKeyYGCLUHSJEXHQAT-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.12
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-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclobutan-1-amine
CID 81168654
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
2-[1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopropyl]ethanamine
CID 65482300
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107023624
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207543
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
4-[4-(2-fluorophenyl)piperazin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 65267339
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
(2R)-1-chloro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1476125

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine (CID 65013429) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(CC2(CBr)CC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is YGCLUHSJEXHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c16-11-15(5-6-15)12-18-7-9-19(10-8-18)14-4-2-1-3-13(14)17/h1-4H,5-12H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine?
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 327.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 65013429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).