1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine

C17H26F2N2O — CID 171311153

IUPAC1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C17H26F2N2O/c1-13(2)7-8-15(21-11-9-20-10-12-21)14-5-3-4-6-16(14)22-17(18)19/h3-6,13,15,17,20H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyFMAAHZYLMSHUMJ-OAHLLOKOSA-N
MW312.40 g/mol
LogP3.67
Rot. Bonds7

About 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine

1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine (PubChem CID 171311153) has the molecular formula C17H26F2N2O and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
PubChem CID171311153
Molecular FormulaC17H26F2N2O
Molecular Weight312.40 g/mol
Exact Mass312.20
IUPAC Name1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1ccccc1OC(F)F)N1CCNCC1
InChIInChI=1S/C17H26F2N2O/c1-13(2)7-8-15(21-11-9-20-10-12-21)14-5-3-4-6-16(14)22-17(18)19/h3-6,13,15,17,20H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyFMAAHZYLMSHUMJ-OAHLLOKOSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[2-(difluoromethoxy)phenyl]-3-fluoropropyl]piperazine
CID 171166965
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
1-[(1S)-4-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171310278
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171172317
1-[(1S)-2-fluoro-1-(2-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182135
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1S)-4-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171310211
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310391
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine (CID 171311153) is 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine is CC(C)CC[C@H](c1ccccc1OC(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine?
The InChIKey is FMAAHZYLMSHUMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26F2N2O/c1-13(2)7-8-15(21-11-9-20-10-12-21)14-5-3-4-6-16(14)22-17(18)19/h3-6,13,15,17,20H,7-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine?
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine has a molecular weight of 312.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-(difluoromethoxy)phenyl]-4-methylpentyl]piperazine is sourced from PubChem (CID 171311153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).