ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine

C14H23FN2 — CID 142195714

IUPACethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCC.Cc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C12H17FN2.C2H6/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15;1-2/h2-3,8,14H,4-7,9H2,1H3;1-2H3
InChIKeyJCMIUHMRGKMGNZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.57
Rot. Bonds2

About ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine

ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 142195714) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Nameethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID142195714
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Nameethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
SMILESCC.Cc1ccc(F)cc1CN1CCNCC1
InChIInChI=1S/C12H17FN2.C2H6/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15;1-2/h2-3,8,14H,4-7,9H2,1H3;1-2H3
InChIKeyJCMIUHMRGKMGNZ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
N,N-diethylethanamine;1-[(2,4-difluorophenyl)methyl]piperazine
CID 174896777
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
1-[(2-methyl-5-methylsulfonylphenyl)methyl]piperazine
CID 117424869
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
1-[(2-methyl-5-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82498363

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine (CID 142195714) is ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine is CC.Cc1ccc(F)cc1CN1CCNCC1.
What is the InChIKey of ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is JCMIUHMRGKMGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.C2H6/c1-10-2-3-12(13)8-11(10)9-15-6-4-14-5-7-15;1-2/h2-3,8,14H,4-7,9H2,1H3;1-2H3.
What are the key properties of ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine?
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine has a molecular weight of 238.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 142195714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).