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

C16H25FN2 — CID 107453627

IUPAC1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCN(Cc2cc(CNC)ccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-13-6-8-19(9-7-13)12-15-10-14(11-18-2)4-5-16(15)17/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3
InChIKeyQNQBOOHHOWSDJH-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.17
Rot. Bonds5

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

1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107453627) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107453627
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCN(Cc2cc(CNC)ccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-13-6-8-19(9-7-13)12-15-10-14(11-18-2)4-5-16(15)17/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3
InChIKeyQNQBOOHHOWSDJH-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
CID 107454021
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107454972
1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453653
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
4-fluoro-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63248960
1-[4-fluoro-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455028
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine (CID 107453627) is 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine is CCC1CCN(Cc2cc(CNC)ccc2F)CC1.
What is the InChIKey of 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is QNQBOOHHOWSDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-6-8-19(9-7-13)12-15-10-14(11-18-2)4-5-16(15)17/h4-5,10,13,18H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107453627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).