1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride

C18H29Cl2FN2O — CID 171292805

IUPAC1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H27FN2O.2ClH/c1-22-15-7-8-17(19)16(13-15)18(14-5-3-2-4-6-14)21-11-9-20-10-12-21;;/h7-8,13-14,18,20H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyDMOWMOAVTIJZPZ-JPKZNVRTSA-N
MW379.35 g/mol
LogP4.20
Rot. Bonds4

About 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171292805) has the molecular formula C18H29Cl2FN2O and a molecular weight of 379.35 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
PubChem CID171292805
Molecular FormulaC18H29Cl2FN2O
Molecular Weight379.35 g/mol
Exact Mass378.16
IUPAC Name1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
SMILESCOc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H27FN2O.2ClH/c1-22-15-7-8-17(19)16(13-15)18(14-5-3-2-4-6-14)21-11-9-20-10-12-21;;/h7-8,13-14,18,20H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1
InChIKeyDMOWMOAVTIJZPZ-JPKZNVRTSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(S)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171284101
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
CID 171275901
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721
1-[(R)-cyclohexyl-(2-fluoro-5-methylphenyl)methyl]piperazine;hydrochloride
CID 171169463
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149
1-[(S)-cyclohexyl-(2-fluoro-5-iodophenyl)methyl]piperazine;dihydrochloride
CID 171284076
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride (CID 171292805) is 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride is COc1ccc(F)c([C@@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is DMOWMOAVTIJZPZ-JPKZNVRTSA-N. The full InChI is InChI=1S/C18H27FN2O.2ClH/c1-22-15-7-8-17(19)16(13-15)18(14-5-3-2-4-6-14)21-11-9-20-10-12-21;;/h7-8,13-14,18,20H,2-6,9-12H2,1H3;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 379.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).