N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine

C13H21FN2 — CID 70325320

IUPACN-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2=CCC(F)C=C2)CC1
InChIInChI=1S/C13H21FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-4,12-13,15H,5-10H2,1H3
InChIKeyYTJBJDRAYOXUCL-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.89
Rot. Bonds3

About N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine (PubChem CID 70325320) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
PubChem CID70325320
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2=CCC(F)C=C2)CC1
InChIInChI=1S/C13H21FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-4,12-13,15H,5-10H2,1H3
InChIKeyYTJBJDRAYOXUCL-UHFFFAOYSA-N
XLogP1.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine (CID 70325320) is N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCC2=CCC(F)C=C2)CC1.
What is the InChIKey of N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is YTJBJDRAYOXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-16-8-6-13(7-9-16)15-10-11-2-4-12(14)5-3-11/h2-4,12-13,15H,5-10H2,1H3.
What are the key properties of N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine?
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 224.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 70325320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).