1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

C18H28Cl2F2N2O — CID 171290876

IUPAC1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)Oc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H26F2N2O.2ClH/c19-18(20)23-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)22-12-10-21-11-13-22;;/h6-9,14,17-18,21H,1-5,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyRUWLNHAMJQQNAX-ZEECNFPPSA-N
MW397.34 g/mol
LogP4.66
Rot. Bonds5

About 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171290876) has the molecular formula C18H28Cl2F2N2O and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
PubChem CID171290876
Molecular FormulaC18H28Cl2F2N2O
Molecular Weight397.34 g/mol
Exact Mass396.15
IUPAC Name1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)Oc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1
InChIInChI=1S/C18H26F2N2O.2ClH/c19-18(20)23-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)22-12-10-21-11-13-22;;/h6-9,14,17-18,21H,1-5,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyRUWLNHAMJQQNAX-ZEECNFPPSA-N
XLogP4.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclopentyl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171292277
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171281574
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171290876) is 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.FC(F)Oc1ccc([C@@H](C2CCCCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is RUWLNHAMJQQNAX-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H26F2N2O.2ClH/c19-18(20)23-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)22-12-10-21-11-13-22;;/h6-9,14,17-18,21H,1-5,10-13H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 397.34 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171290876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).