[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine

C13H19FN2 — CID 64768327

IUPAC[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCCCC1
InChIInChI=1S/C13H19FN2/c14-13-5-4-11(9-15)12(8-13)10-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,15H2
InChIKeyHWKATATZWFSVRQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds3

About [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine

[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine (PubChem CID 64768327) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
PubChem CID64768327
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CN1CCCCC1
InChIInChI=1S/C13H19FN2/c14-13-5-4-11(9-15)12(8-13)10-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,15H2
InChIKeyHWKATATZWFSVRQ-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111
[2-(azepan-1-ylmethyl)-5-fluorophenyl]boronic acid
CID 54970471
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-4-fluorophenyl)methyl]azepane
CID 60711853
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine (CID 64768327) is [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine is NCc1ccc(F)cc1CN1CCCCC1.
What is the InChIKey of [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is HWKATATZWFSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-13-5-4-11(9-15)12(8-13)10-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9-10,15H2.
What are the key properties of [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine?
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 64768327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).