1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine

C15H21FN2 — CID 171276795

IUPAC1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
SMILESCc1c(F)cccc1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H21FN2/c1-11-13(3-2-4-14(11)16)15(12-5-6-12)18-9-7-17-8-10-18/h2-4,12,15,17H,5-10H2,1H3/t15-/m0/s1
InChIKeyHJJBBXLBFPRZRZ-HNNXBMFYSA-N
MW248.34 g/mol
LogP2.49
Rot. Bonds3

About 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine

1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 171276795) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID171276795
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine
SMILESCc1c(F)cccc1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C15H21FN2/c1-11-13(3-2-4-14(11)16)15(12-5-6-12)18-9-7-17-8-10-18/h2-4,12,15,17H,5-10H2,1H3/t15-/m0/s1
InChIKeyHJJBBXLBFPRZRZ-HNNXBMFYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-fluorophenol
CID 171175032
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
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)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171167021
1-[(R)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171172374
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
1-[(S)-cyclopropyl-(2-fluoro-6-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280765

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine (CID 171276795) is 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine is Cc1c(F)cccc1[C@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is HJJBBXLBFPRZRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11-13(3-2-4-14(11)16)15(12-5-6-12)18-9-7-17-8-10-18/h2-4,12,15,17H,5-10H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine?
1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine has a molecular weight of 248.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(3-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 171276795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).