N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine

C14H21FN2O — CID 110454587

IUPACN-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(N(C)C2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-8-6-11(7-9-16)17(2)14-5-4-12(18-3)10-13(14)15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyKMZCHYKBYZODAL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.36
Rot. Bonds3

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

N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine (PubChem CID 110454587) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
PubChem CID110454587
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(N(C)C2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-16-8-6-11(7-9-16)17(2)14-5-4-12(18-3)10-13(14)15/h4-5,10-11H,6-9H2,1-3H3
InChIKeyKMZCHYKBYZODAL-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine (CID 110454587) is N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine is COc1ccc(N(C)C2CCN(C)CC2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine?
The InChIKey is KMZCHYKBYZODAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-8-6-11(7-9-16)17(2)14-5-4-12(18-3)10-13(14)15/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine?
N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine has a molecular weight of 252.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methoxyphenyl)-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 110454587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).