1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine

C14H18F2N2 — CID 171289598

IUPAC1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
SMILESFc1cccc([C@@H](C2CC2)N2CCNCC2)c1F
InChIInChI=1S/C14H18F2N2/c15-12-3-1-2-11(13(12)16)14(10-4-5-10)18-8-6-17-7-9-18/h1-3,10,14,17H,4-9H2/t14-/m1/s1
InChIKeyPCWCQUKLHLYWAB-CQSZACIVSA-N
MW252.31 g/mol
LogP2.32
Rot. Bonds3

About 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine

1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine (PubChem CID 171289598) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
PubChem CID171289598
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
SMILESFc1cccc([C@@H](C2CC2)N2CCNCC2)c1F
InChIInChI=1S/C14H18F2N2/c15-12-3-1-2-11(13(12)16)14(10-4-5-10)18-8-6-17-7-9-18/h1-3,10,14,17H,4-9H2/t14-/m1/s1
InChIKeyPCWCQUKLHLYWAB-CQSZACIVSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
CID 171276795
1-[(R)-cyclopropyl-(2,3,4-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290613
1-[(S)-cyclopentyl-(2,3,4-trifluorophenyl)methyl]piperazine
CID 171164909
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
1-[(S)-cyclobutyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179692
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol;hydrochloride
CID 171175033
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171168242
1-[(S)-cyclohexyl-(2,3,4-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171164946
1-[(S)-cyclopropyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171277670
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine (CID 171289598) is 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine is Fc1cccc([C@@H](C2CC2)N2CCNCC2)c1F.
What is the InChIKey of 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine?
The InChIKey is PCWCQUKLHLYWAB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18F2N2/c15-12-3-1-2-11(13(12)16)14(10-4-5-10)18-8-6-17-7-9-18/h1-3,10,14,17H,4-9H2/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine?
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine has a molecular weight of 252.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 171289598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).