N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

C13H19FN2 — CID 781972

IUPACN-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-16-8-6-12(7-9-16)15-10-11-4-2-3-5-13(11)14/h2-5,12,15H,6-10H2,1H3
InChIKeyCHTDSLNEXIGYDX-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine

N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 781972) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID781972
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2/c1-16-8-6-12(7-9-16)15-10-11-4-2-3-5-13(11)14/h2-5,12,15H,6-10H2,1H3
InChIKeyCHTDSLNEXIGYDX-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine (CID 781972) is N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is CHTDSLNEXIGYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-8-6-12(7-9-16)15-10-11-4-2-3-5-13(11)14/h2-5,12,15H,6-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine?
N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 781972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).