1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine

C8H17FN2 — CID 22359924

IUPAC1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1(CF)CCCNC1
InChIInChI=1S/C8H17FN2/c1-10-6-8(5-9)3-2-4-11-7-8/h10-11H,2-7H2,1H3
InChIKeyBJHRXUOGPJXJQX-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.55
Rot. Bonds3

About 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine

1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 22359924) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID22359924
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1(CF)CCCNC1
InChIInChI=1S/C8H17FN2/c1-10-6-8(5-9)3-2-4-11-7-8/h10-11H,2-7H2,1H3
InChIKeyBJHRXUOGPJXJQX-UHFFFAOYSA-N
XLogP0.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine (CID 22359924) is 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine is CNCC1(CF)CCCNC1.
What is the InChIKey of 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is BJHRXUOGPJXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10-6-8(5-9)3-2-4-11-7-8/h10-11H,2-7H2,1H3.
What are the key properties of 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine?
1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 22359924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).