1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine

C14H21FN2 — CID 54975731

IUPAC1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)cc2F)CC1C
InChIInChI=1S/C14H21FN2/c1-10-4-5-14(12(15)8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3
InChIKeyKGUVNEUAHSPBRN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.57
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine

1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine (PubChem CID 54975731) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
PubChem CID54975731
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)cc2F)CC1C
InChIInChI=1S/C14H21FN2/c1-10-4-5-14(12(15)8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3
InChIKeyKGUVNEUAHSPBRN-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine (CID 54975731) is 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine is CNC1CCN(c2ccc(C)cc2F)CC1C.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine?
The InChIKey is KGUVNEUAHSPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-4-5-14(12(15)8-10)17-7-6-13(16-3)11(2)9-17/h4-5,8,11,13,16H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine?
1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 54975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).