[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine

C14H21FN2 — CID 55062001

IUPAC[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCC1CCN(c2ccc(F)cc2CN)C(C)C1
InChIInChI=1S/C14H21FN2/c1-10-5-6-17(11(2)7-10)14-4-3-13(15)8-12(14)9-16/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeyLUOCUSPDKVGDPQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.91
Rot. Bonds2

About [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine

[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine (PubChem CID 55062001) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
PubChem CID55062001
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine
SMILESCC1CCN(c2ccc(F)cc2CN)C(C)C1
InChIInChI=1S/C14H21FN2/c1-10-5-6-17(11(2)7-10)14-4-3-13(15)8-12(14)9-16/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeyLUOCUSPDKVGDPQ-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62332170
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 63534019
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
CID 82506971
4-[2-(aminomethyl)-4-fluorophenyl]-3-methylpiperazine-2,6-dione
CID 66063433
[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 63551419
2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 62330125
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
1-[4-(bromomethyl)-2-methylphenyl]-2,4-dimethylpiperidine
CID 107082784

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine (CID 55062001) is [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine is CC1CCN(c2ccc(F)cc2CN)C(C)C1.
What is the InChIKey of [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is LUOCUSPDKVGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-6-17(11(2)7-10)14-4-3-13(15)8-12(14)9-16/h3-4,8,10-11H,5-7,9,16H2,1-2H3.
What are the key properties of [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine?
[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 55062001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).