1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride

C14H20Cl3FN2 — CID 171289649

IUPAC1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H18ClFN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyUDBSZFCRSSIUPW-FMOMHUKBSA-N
MW341.69 g/mol
LogP3.68
Rot. Bonds3

About 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride

1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (PubChem CID 171289649) has the molecular formula C14H20Cl3FN2 and a molecular weight of 341.69 g/mol. Its IUPAC name is 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
PubChem CID171289649
Molecular FormulaC14H20Cl3FN2
Molecular Weight341.69 g/mol
Exact Mass340.07
IUPAC Name1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)c1
InChIInChI=1S/C14H18ClFN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m1../s1
InChIKeyUDBSZFCRSSIUPW-FMOMHUKBSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(2-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164424
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-cyclopropyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289674
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-cyclopropyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171275931
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-[(S)-cyclobutyl-(4-fluoro-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171275263
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
1-[(S)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171179117
1-[(R)-(4-chloro-2-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171288701
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (CID 171289649) is 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc([C@@H](C2CC2)N2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The InChIKey is UDBSZFCRSSIUPW-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H18ClFN2.2ClH/c15-13-9-11(16)3-4-12(13)14(10-1-2-10)18-7-5-17-6-8-18;;/h3-4,9-10,14,17H,1-2,5-8H2;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride has a molecular weight of 341.69 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).