1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride

C14H20Cl3FN2 — CID 171277324

IUPAC1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Cl)cc([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H18ClFN2.2ClH/c15-12-7-11(8-13(16)9-12)14(10-1-2-10)18-5-3-17-4-6-18;;/h7-10,14,17H,1-6H2;2*1H/t14-;;/m0../s1
InChIKeyOMEXNFRVSQHPPX-UTLKBRERSA-N
MW341.69 g/mol
LogP3.68
Rot. Bonds3

About 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride

1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (PubChem CID 171277324) has the molecular formula C14H20Cl3FN2 and a molecular weight of 341.69 g/mol. Its IUPAC name is 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
PubChem CID171277324
Molecular FormulaC14H20Cl3FN2
Molecular Weight341.69 g/mol
Exact Mass340.07
IUPAC Name1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Cl)cc([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C14H18ClFN2.2ClH/c15-12-7-11(8-13(16)9-12)14(10-1-2-10)18-5-3-17-4-6-18;;/h7-10,14,17H,1-6H2;2*1H/t14-;;/m0../s1
InChIKeyOMEXNFRVSQHPPX-UTLKBRERSA-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-[(R)-(3-chloro-5-fluorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289950
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-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171283543
1-[(R)-(3-bromo-5-fluorophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171289453
5-[(R)-cyclopropyl(piperazin-1-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171286479
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
1-[(R)-(2-chloro-4-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171289649
(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
1-[(R)-(3-bromo-5-fluorophenyl)-(oxan-4-yl)methyl]piperazine
CID 171289452
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride (CID 171277324) is 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(Cl)cc([C@H](C2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
The InChIKey is OMEXNFRVSQHPPX-UTLKBRERSA-N. The full InChI is InChI=1S/C14H18ClFN2.2ClH/c15-12-7-11(8-13(16)9-12)14(10-1-2-10)18-5-3-17-4-6-18;;/h7-10,14,17H,1-6H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride?
1-[(S)-(3-chloro-5-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-[(S)-(3-chloro-5-fluorophenyl)-cyclopropylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).