1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine

C16H25FN2O — CID 107453653

IUPAC1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCOC1CCCN(Cc2cc(CNC)ccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-3-20-15-5-4-8-19(12-15)11-14-9-13(10-18-2)6-7-16(14)17/h6-7,9,15,18H,3-5,8,10-12H2,1-2H3
InChIKeyMZWOXQGNPUOJAW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.55
Rot. Bonds6

About 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine

1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107453653) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107453653
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCOC1CCCN(Cc2cc(CNC)ccc2F)C1
InChIInChI=1S/C16H25FN2O/c1-3-20-15-5-4-8-19(12-15)11-14-9-13(10-18-2)6-7-16(14)17/h6-7,9,15,18H,3-5,8,10-12H2,1-2H3
InChIKeyMZWOXQGNPUOJAW-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148
1-[3-bromo-4-[(3-propoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102768549
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
CID 107454021
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107454972
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
N-[[4-fluoro-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 107455188
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine (CID 107453653) is 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine is CCOC1CCCN(Cc2cc(CNC)ccc2F)C1.
What is the InChIKey of 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is MZWOXQGNPUOJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-20-15-5-4-8-19(12-15)11-14-9-13(10-18-2)6-7-16(14)17/h6-7,9,15,18H,3-5,8,10-12H2,1-2H3.
What are the key properties of 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107453653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).