1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine

C15H20F2N2O — CID 171290872

IUPAC1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccc([C@@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-5-3-12(4-6-13)14(11-1-2-11)19-9-7-18-8-10-19/h3-6,11,14-15,18H,1-2,7-10H2/t14-/m1/s1
InChIKeyDDAMSYFGHZHJOR-CQSZACIVSA-N
MW282.33 g/mol
LogP2.64
Rot. Bonds5

About 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine

1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171290872) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
PubChem CID171290872
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1ccc([C@@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-5-3-12(4-6-13)14(11-1-2-11)19-9-7-18-8-10-19/h3-6,11,14-15,18H,1-2,7-10H2/t14-/m1/s1
InChIKeyDDAMSYFGHZHJOR-CQSZACIVSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.64
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)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921
1-[(1R)-1-[4-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine
CID 171179796

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine (CID 171290872) is 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine is FC(F)Oc1ccc([C@@H](C2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is DDAMSYFGHZHJOR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-15(17)20-13-5-3-12(4-6-13)14(11-1-2-11)19-9-7-18-8-10-19/h3-6,11,14-15,18H,1-2,7-10H2/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine?
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 282.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171290872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).