1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine

C10H19FN2 — CID 170016499

IUPAC1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine
SMILESC=C(NC)N1CC(C)CC[C@H]1CF
InChIInChI=1S/C10H19FN2/c1-8-4-5-10(6-11)13(7-8)9(2)12-3/h8,10,12H,2,4-7H2,1,3H3/t8?,10-/m0/s1
InChIKeyMVWQIMQWPPBNBU-HTLJXXAVSA-N
MW186.27 g/mol
LogP1.75
Rot. Bonds3

About 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine

1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine (PubChem CID 170016499) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine.

Molecular Properties

Compound Name1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine
PubChem CID170016499
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine
SMILESC=C(NC)N1CC(C)CC[C@H]1CF
InChIInChI=1S/C10H19FN2/c1-8-4-5-10(6-11)13(7-8)9(2)12-3/h8,10,12H,2,4-7H2,1,3H3/t8?,10-/m0/s1
InChIKeyMVWQIMQWPPBNBU-HTLJXXAVSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine?
The IUPAC name of 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine (CID 170016499) is 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine.
What is the SMILES notation for 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine?
The canonical SMILES for 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine is C=C(NC)N1CC(C)CC[C@H]1CF.
What is the InChIKey of 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine?
The InChIKey is MVWQIMQWPPBNBU-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H19FN2/c1-8-4-5-10(6-11)13(7-8)9(2)12-3/h8,10,12H,2,4-7H2,1,3H3/t8?,10-/m0/s1.
What are the key properties of 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine?
1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine has a molecular weight of 186.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(fluoromethyl)-5-methylpiperidin-1-yl]-N-methylethenamine is sourced from PubChem (CID 170016499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).