N-ethenyl-3-fluoro-N-methylpiperidin-4-amine

C8H15FN2 — CID 143536556

IUPACN-ethenyl-3-fluoro-N-methylpiperidin-4-amine
SMILESC=CN(C)C1CCNCC1F
InChIInChI=1S/C8H15FN2/c1-3-11(2)8-4-5-10-6-7(8)9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyXRFFUCRIKZQDPQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.76
Rot. Bonds2

About N-ethenyl-3-fluoro-N-methylpiperidin-4-amine

N-ethenyl-3-fluoro-N-methylpiperidin-4-amine (PubChem CID 143536556) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is N-ethenyl-3-fluoro-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethenyl-3-fluoro-N-methylpiperidin-4-amine
PubChem CID143536556
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN-ethenyl-3-fluoro-N-methylpiperidin-4-amine
SMILESC=CN(C)C1CCNCC1F
InChIInChI=1S/C8H15FN2/c1-3-11(2)8-4-5-10-6-7(8)9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyXRFFUCRIKZQDPQ-UHFFFAOYSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-fluoro-N-methylpiperidin-4-amine?
The IUPAC name of N-ethenyl-3-fluoro-N-methylpiperidin-4-amine (CID 143536556) is N-ethenyl-3-fluoro-N-methylpiperidin-4-amine.
What is the SMILES notation for N-ethenyl-3-fluoro-N-methylpiperidin-4-amine?
The canonical SMILES for N-ethenyl-3-fluoro-N-methylpiperidin-4-amine is C=CN(C)C1CCNCC1F.
What is the InChIKey of N-ethenyl-3-fluoro-N-methylpiperidin-4-amine?
The InChIKey is XRFFUCRIKZQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-3-11(2)8-4-5-10-6-7(8)9/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of N-ethenyl-3-fluoro-N-methylpiperidin-4-amine?
N-ethenyl-3-fluoro-N-methylpiperidin-4-amine has a molecular weight of 158.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-fluoro-N-methylpiperidin-4-amine is sourced from PubChem (CID 143536556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).