1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine

C14H21FN2 — CID 171171813

IUPAC1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc([C@@H](CCF)N2CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-12-3-2-4-13(11-12)14(5-6-15)17-9-7-16-8-10-17/h2-4,11,14,16H,5-10H2,1H3/t14-/m1/s1
InChIKeyFNHSOXBUPQYNHU-CQSZACIVSA-N
MW236.33 g/mol
LogP2.30
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine (PubChem CID 171171813) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
PubChem CID171171813
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc([C@@H](CCF)N2CCNCC2)c1
InChIInChI=1S/C14H21FN2/c1-12-3-2-4-13(11-12)14(5-6-15)17-9-7-16-8-10-17/h2-4,11,14,16H,5-10H2,1H3/t14-/m1/s1
InChIKeyFNHSOXBUPQYNHU-CQSZACIVSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1S)-1-(2,6-dimethylphenyl)-3-fluoropropyl]piperazine
CID 171164269
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropyl]piperazine
CID 171166861
1-[(1R)-1-(2-bromo-4-methylphenyl)-3-fluoropropyl]piperazine
CID 171169042
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
1-[(1R)-2-fluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171182716
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine (CID 171171813) is 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine is Cc1cccc([C@@H](CCF)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine?
The InChIKey is FNHSOXBUPQYNHU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12-3-2-4-13(11-12)14(5-6-15)17-9-7-16-8-10-17/h2-4,11,14,16H,5-10H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 171171813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).