1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride

C16H26Cl2F2N2O — CID 171307865

IUPAC1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cccc(OC(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24F2N2O.2ClH/c1-2-3-7-15(20-10-8-19-9-11-20)13-5-4-6-14(12-13)21-16(17)18;;/h4-6,12,15-16,19H,2-3,7-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyRXDHVGKTTAKEDE-QCUBGVIVSA-N
MW371.30 g/mol
LogP4.27
Rot. Bonds7

About 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride

1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride (PubChem CID 171307865) has the molecular formula C16H26Cl2F2N2O and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
PubChem CID171307865
Molecular FormulaC16H26Cl2F2N2O
Molecular Weight371.30 g/mol
Exact Mass370.14
IUPAC Name1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@H](c1cccc(OC(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24F2N2O.2ClH/c1-2-3-7-15(20-10-8-19-9-11-20)13-5-4-6-14(12-13)21-16(17)18;;/h4-6,12,15-16,19H,2-3,7-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyRXDHVGKTTAKEDE-QCUBGVIVSA-N
XLogP4.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride (CID 171307865) is 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride is CCCC[C@H](c1cccc(OC(F)F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The InChIKey is RXDHVGKTTAKEDE-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H24F2N2O.2ClH/c1-2-3-7-15(20-10-8-19-9-11-20)13-5-4-6-14(12-13)21-16(17)18;;/h4-6,12,15-16,19H,2-3,7-11H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride has a molecular weight of 371.30 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).