1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine

C17H26FN3 — CID 84753153

IUPAC1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
SMILESCC1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C17H26FN3/c1-14-4-8-20(9-5-14)13-15-2-3-16(18)17(12-15)21-10-6-19-7-11-21/h2-3,12,14,19H,4-11,13H2,1H3
InChIKeyPYQNKOIQOHAOFL-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.47
Rot. Bonds3

About 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine

1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine (PubChem CID 84753153) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
PubChem CID84753153
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine
SMILESCC1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1
InChIInChI=1S/C17H26FN3/c1-14-4-8-20(9-5-14)13-15-2-3-16(18)17(12-15)21-10-6-19-7-11-21/h2-3,12,14,19H,4-11,13H2,1H3
InChIKeyPYQNKOIQOHAOFL-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167
[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970710
N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]cyclopentanamine
CID 84753916
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[2-fluoro-5-(isocyanomethyl)phenyl]piperazine
CID 20785284
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylazepane
CID 63623198
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[[4-(4-methylcyclohexyl)phenyl]methyl]piperazine
CID 117434167
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine (CID 84753153) is 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine is CC1CCN(Cc2ccc(F)c(N3CCNCC3)c2)CC1.
What is the InChIKey of 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine?
The InChIKey is PYQNKOIQOHAOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-14-4-8-20(9-5-14)13-15-2-3-16(18)17(12-15)21-10-6-19-7-11-21/h2-3,12,14,19H,4-11,13H2,1H3.
What are the key properties of 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine?
1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine has a molecular weight of 291.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]piperazine is sourced from PubChem (CID 84753153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).