1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride

C15H22Cl3FN2 — CID 171289950

IUPAC1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Cl)cc([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20ClFN2.2ClH/c16-13-8-12(9-14(17)10-13)15(11-2-1-3-11)19-6-4-18-5-7-19;;/h8-11,15,18H,1-7H2;2*1H/t15-;;/m1../s1
InChIKeyQNXWNRPQOMTALW-QCUBGVIVSA-N
MW355.71 g/mol
LogP4.07
Rot. Bonds3

About 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride

1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride (PubChem CID 171289950) has the molecular formula C15H22Cl3FN2 and a molecular weight of 355.71 g/mol. Its IUPAC name is 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
PubChem CID171289950
Molecular FormulaC15H22Cl3FN2
Molecular Weight355.71 g/mol
Exact Mass354.08
IUPAC Name1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Cl)cc([C@@H](C2CCC2)N2CCNCC2)c1
InChIInChI=1S/C15H20ClFN2.2ClH/c16-13-8-12(9-14(17)10-13)15(11-2-1-3-11)19-6-4-18-5-7-19;;/h8-11,15,18H,1-7H2;2*1H/t15-;;/m1../s1
InChIKeyQNXWNRPQOMTALW-QCUBGVIVSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.71
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171277324
1-[(S)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;hydrochloride
CID 171164020
1-[(R)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171289449
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171283543
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(R)-(4-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171288703

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride (CID 171289950) is 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(Cl)cc([C@@H](C2CCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The InChIKey is QNXWNRPQOMTALW-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H20ClFN2.2ClH/c16-13-8-12(9-14(17)10-13)15(11-2-1-3-11)19-6-4-18-5-7-19;;/h8-11,15,18H,1-7H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride?
1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride has a molecular weight of 355.71 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).