1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine

C15H20BrClN2 — CID 171276889

IUPAC1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
SMILESClc1ccc(Br)cc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20BrClN2/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1
InChIKeyCGSLRLIPWXJQHE-HNNXBMFYSA-N
MW343.70 g/mol
LogP3.85
Rot. Bonds3

About 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine

1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine (PubChem CID 171276889) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
PubChem CID171276889
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine
SMILESClc1ccc(Br)cc1[C@H](C1CCC1)N1CCNCC1
InChIInChI=1S/C15H20BrClN2/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1
InChIKeyCGSLRLIPWXJQHE-HNNXBMFYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(5-bromo-2-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171276894
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
4-bromo-2-chloro-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171300211
1-[(S)-(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171275113
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352
6-bromo-3-chloro-2-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171299930
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclopentylmethyl]piperazine;dihydrochloride
CID 171292778
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine?
The IUPAC name of 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine (CID 171276889) is 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine is Clc1ccc(Br)cc1[C@H](C1CCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine?
The InChIKey is CGSLRLIPWXJQHE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c16-12-4-5-14(17)13(10-12)15(11-2-1-3-11)19-8-6-18-7-9-19/h4-5,10-11,15,18H,1-3,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine?
1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine has a molecular weight of 343.70 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-bromo-2-chlorophenyl)-cyclobutylmethyl]piperazine is sourced from PubChem (CID 171276889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).