1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine

C14H18BrFN2 — CID 171273492

IUPAC1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine
SMILESFc1cc(Br)ccc1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H18BrFN2/c15-11-3-4-12(13(16)9-11)14(10-1-2-10)18-7-5-17-6-8-18/h3-4,9-10,14,17H,1-2,5-8H2/t14-/m0/s1
InChIKeyDJTNKAQNRKVUOB-AWEZNQCLSA-N
MW313.21 g/mol
LogP2.94
Rot. Bonds3

About 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine

1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine (PubChem CID 171273492) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine
PubChem CID171273492
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine
SMILESFc1cc(Br)ccc1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C14H18BrFN2/c15-11-3-4-12(13(16)9-11)14(10-1-2-10)18-7-5-17-6-8-18/h3-4,9-10,14,17H,1-2,5-8H2/t14-/m0/s1
InChIKeyDJTNKAQNRKVUOB-AWEZNQCLSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(1S)-1-(4-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171163073
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;dihydrochloride
CID 171273291
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol;hydrochloride
CID 171162966
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
1-[(S)-(2-bromo-4-chlorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276762
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
CID 171276889

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine?
The IUPAC name of 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine (CID 171273492) is 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine is Fc1cc(Br)ccc1[C@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine?
The InChIKey is DJTNKAQNRKVUOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-11-3-4-12(13(16)9-11)14(10-1-2-10)18-7-5-17-6-8-18/h3-4,9-10,14,17H,1-2,5-8H2/t14-/m0/s1.
What are the key properties of 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine?
1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine has a molecular weight of 313.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-bromo-2-fluorophenyl)-cyclopropylmethyl]piperazine is sourced from PubChem (CID 171273492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).