[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine

C14H21FN2 — CID 43122266

IUPAC[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
SMILESCC1CC(C)CN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C14H21FN2/c1-10-5-11(2)9-17(8-10)14-4-3-12(7-16)6-13(14)15/h3-4,6,10-11H,5,7-9,16H2,1-2H3
InChIKeyLOCCBIPFESHMAI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.77
Rot. Bonds2

About [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine

[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine (PubChem CID 43122266) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
PubChem CID43122266
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
SMILESCC1CC(C)CN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C14H21FN2/c1-10-5-11(2)9-17(8-10)14-4-3-12(7-16)6-13(14)15/h3-4,6,10-11H,5,7-9,16H2,1-2H3
InChIKeyLOCCBIPFESHMAI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
CID 103540653
[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540
7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091384
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine (CID 43122266) is [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine is CC1CC(C)CN(c2ccc(CN)cc2F)C1.
What is the InChIKey of [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine?
The InChIKey is LOCCBIPFESHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-11(2)9-17(8-10)14-4-3-12(7-16)6-13(14)15/h3-4,6,10-11H,5,7-9,16H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine?
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 43122266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).