1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine

C15H21FN2 — CID 28799243

IUPAC1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc([C@@H](C2CC2)N2CCNCC2)ccc1F
InChIInChI=1S/C15H21FN2/c1-11-10-13(4-5-14(11)16)15(12-2-3-12)18-8-6-17-7-9-18/h4-5,10,12,15,17H,2-3,6-9H2,1H3/t15-/m1/s1
InChIKeyARMKUXIHYSUIKC-OAHLLOKOSA-N
MW248.34 g/mol
LogP2.49
Rot. Bonds3

About 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine

1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine (PubChem CID 28799243) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
PubChem CID28799243
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
SMILESCc1cc([C@@H](C2CC2)N2CCNCC2)ccc1F
InChIInChI=1S/C15H21FN2/c1-11-10-13(4-5-14(11)16)15(12-2-3-12)18-8-6-17-7-9-18/h4-5,10,12,15,17H,2-3,6-9H2,1H3/t15-/m1/s1
InChIKeyARMKUXIHYSUIKC-OAHLLOKOSA-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)-cyclobutyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 95468433
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(R)-(3-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168696
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol
CID 171298409
1-[(R)-cyclohexyl-(4-methoxy-3-methylphenyl)methyl]piperazine
CID 171295207
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine (CID 28799243) is 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine is Cc1cc([C@@H](C2CC2)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
The InChIKey is ARMKUXIHYSUIKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11-10-13(4-5-14(11)16)15(12-2-3-12)18-8-6-17-7-9-18/h4-5,10,12,15,17H,2-3,6-9H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine?
1-[(R)-cyclopropyl-(4-fluoro-3-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-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 28799243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).