1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol

C13H19FN2O — CID 63289199

IUPAC1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
SMILESNCc1cc(F)ccc1CN1CCCC(O)C1
InChIInChI=1S/C13H19FN2O/c14-12-4-3-10(11(6-12)7-15)8-16-5-1-2-13(17)9-16/h3-4,6,13,17H,1-2,5,7-9,15H2
InChIKeyUCAJZXLWWYKRRP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.24
Rot. Bonds3

About 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol

1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol (PubChem CID 63289199) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
PubChem CID63289199
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
SMILESNCc1cc(F)ccc1CN1CCCC(O)C1
InChIInChI=1S/C13H19FN2O/c14-12-4-3-10(11(6-12)7-15)8-16-5-1-2-13(17)9-16/h3-4,6,13,17H,1-2,5,7-9,15H2
InChIKeyUCAJZXLWWYKRRP-UHFFFAOYSA-N
XLogP1.24
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
CID 60791980

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol (CID 63289199) is 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol is NCc1cc(F)ccc1CN1CCCC(O)C1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol?
The InChIKey is UCAJZXLWWYKRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-4-3-10(11(6-12)7-15)8-16-5-1-2-13(17)9-16/h3-4,6,13,17H,1-2,5,7-9,15H2.
What are the key properties of 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol?
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol has a molecular weight of 238.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 63289199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).