N-(3-fluorophenyl)-1-methylpiperidin-4-amine

C12H17FN2 — CID 868430

IUPACN-(3-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C12H17FN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyBUSCXLDJLMSROU-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.33
Rot. Bonds2

About N-(3-fluorophenyl)-1-methylpiperidin-4-amine

N-(3-fluorophenyl)-1-methylpiperidin-4-amine (PubChem CID 868430) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methylpiperidin-4-amine
PubChem CID868430
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(3-fluorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(F)c2)CC1
InChIInChI=1S/C12H17FN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyBUSCXLDJLMSROU-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-1-methylpiperidin-4-amine (CID 868430) is N-(3-fluorophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-methylpiperidin-4-amine?
The InChIKey is BUSCXLDJLMSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3.
What are the key properties of N-(3-fluorophenyl)-1-methylpiperidin-4-amine?
N-(3-fluorophenyl)-1-methylpiperidin-4-amine has a molecular weight of 208.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 868430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).