1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine

C17H27FN2O — CID 112802116

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C17H27FN2O/c1-3-4-5-8-19-9-11-20(12-10-19)14-15-13-16(18)6-7-17(15)21-2/h6-7,13H,3-5,8-12,14H2,1-2H3
InChIKeyPNHLJCZDXSGMMP-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.14
Rot. Bonds7

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine

1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine (PubChem CID 112802116) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
PubChem CID112802116
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
SMILESCCCCCN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C17H27FN2O/c1-3-4-5-8-19-9-11-20(12-10-19)14-15-13-16(18)6-7-17(15)21-2/h6-7,13H,3-5,8-12,14H2,1-2H3
InChIKeyPNHLJCZDXSGMMP-UHFFFAOYSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propoxy]benzonitrile
CID 112839730
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
2,3-dimethoxy-6-[(4-octadecylpiperazin-1-yl)methyl]phenol
CID 15232155
4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119833145
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine (CID 112802116) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine is CCCCCN1CCN(Cc2cc(F)ccc2OC)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine?
The InChIKey is PNHLJCZDXSGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-4-5-8-19-9-11-20(12-10-19)14-15-13-16(18)6-7-17(15)21-2/h6-7,13H,3-5,8-12,14H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine?
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine has a molecular weight of 294.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine is sourced from PubChem (CID 112802116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).