N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine

C15H23FN2 — CID 155327615

IUPACN-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CCC=C(F)C=C2)CC1
InChIInChI=1S/C15H23FN2/c1-17-10-8-15(9-11-17)18(2)12-13-4-3-5-14(16)7-6-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXVMPQGKFKFBDKH-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.75
Rot. Bonds3

About N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 155327615) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID155327615
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2=CCC=C(F)C=C2)CC1
InChIInChI=1S/C15H23FN2/c1-17-10-8-15(9-11-17)18(2)12-13-4-3-5-14(16)7-6-13/h4-7,15H,3,8-12H2,1-2H3
InChIKeyXVMPQGKFKFBDKH-UHFFFAOYSA-N
XLogP2.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine (CID 155327615) is N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2=CCC=C(F)C=C2)CC1.
What is the InChIKey of N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is XVMPQGKFKFBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-17-10-8-15(9-11-17)18(2)12-13-4-3-5-14(16)7-6-13/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 155327615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).