[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol

C13H19FN2O — CID 61406388

IUPAC[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
SMILESNCc1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C13H19FN2O/c14-12-7-10(8-15)4-5-13(12)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2
InChIKeyMVVRWADPAQCFAT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.64
Rot. Bonds3

About [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol

[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol (PubChem CID 61406388) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
PubChem CID61406388
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
SMILESNCc1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C13H19FN2O/c14-12-7-10(8-15)4-5-13(12)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2
InChIKeyMVVRWADPAQCFAT-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidin-2-yl]methanol
CID 61407782
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]azepan-2-yl]methanol
CID 116635505
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
[1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepan-2-yl]methanol
CID 116634283
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
2-[1-[4-(aminomethyl)-2,6-difluorophenyl]piperidin-2-yl]ethanol
CID 81294625
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
CID 62887739

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol (CID 61406388) is [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol is NCc1ccc(N2CCCCC2CO)c(F)c1.
What is the InChIKey of [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol?
The InChIKey is MVVRWADPAQCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-7-10(8-15)4-5-13(12)16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9,15H2.
What are the key properties of [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol?
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol has a molecular weight of 238.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61406388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).