1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine

C15H20F2N2O — CID 171278221

IUPAC1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1cccc([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-2-12(10-13)14(11-4-5-11)19-8-6-18-7-9-19/h1-3,10-11,14-15,18H,4-9H2/t14-/m0/s1
InChIKeyNJHFFSHJQLLQHY-AWEZNQCLSA-N
MW282.33 g/mol
LogP2.64
Rot. Bonds5

About 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine

1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine (PubChem CID 171278221) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
PubChem CID171278221
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
SMILESFC(F)Oc1cccc([C@H](C2CC2)N2CCNCC2)c1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-2-12(10-13)14(11-4-5-11)19-8-6-18-7-9-19/h1-3,10-11,14-15,18H,4-9H2/t14-/m0/s1
InChIKeyNJHFFSHJQLLQHY-AWEZNQCLSA-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-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(S)-[3-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171278228
1-[(R)-cyclopropyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286716
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine
CID 171181941
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171290844
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290841
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(R)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171290527

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine (CID 171278221) is 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine is FC(F)Oc1cccc([C@H](C2CC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is NJHFFSHJQLLQHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-2-12(10-13)14(11-4-5-11)19-8-6-18-7-9-19/h1-3,10-11,14-15,18H,4-9H2/t14-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine?
1-[(S)-cyclopropyl-[3-(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-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 171278221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).