1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine

C8H17FN2 — CID 84731488

IUPAC1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1(F)CCN(C)CC1
InChIInChI=1S/C8H17FN2/c1-10-7-8(9)3-5-11(2)6-4-8/h10H,3-7H2,1-2H3
InChIKeyAWTKLIIUBGAMBH-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.64
Rot. Bonds2

About 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine

1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine (PubChem CID 84731488) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine
PubChem CID84731488
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine
SMILESCNCC1(F)CCN(C)CC1
InChIInChI=1S/C8H17FN2/c1-10-7-8(9)3-5-11(2)6-4-8/h10H,3-7H2,1-2H3
InChIKeyAWTKLIIUBGAMBH-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine (CID 84731488) is 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine is CNCC1(F)CCN(C)CC1.
What is the InChIKey of 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine?
The InChIKey is AWTKLIIUBGAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-7-8(9)3-5-11(2)6-4-8/h10H,3-7H2,1-2H3.
What are the key properties of 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine?
1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpiperidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 84731488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).