2-[4-(fluoromethyl)piperidin-4-yl]ethanamine

C8H17FN2 — CID 115012569

IUPAC2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
SMILESNCCC1(CF)CCNCC1
InChIInChI=1S/C8H17FN2/c9-7-8(1-4-10)2-5-11-6-3-8/h11H,1-7,10H2
InChIKeySUSHGEDTSFUAAO-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.67
Rot. Bonds3

About 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine

2-[4-(fluoromethyl)piperidin-4-yl]ethanamine (PubChem CID 115012569) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
PubChem CID115012569
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
SMILESNCCC1(CF)CCNCC1
InChIInChI=1S/C8H17FN2/c9-7-8(1-4-10)2-5-11-6-3-8/h11H,1-7,10H2
InChIKeySUSHGEDTSFUAAO-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-bis(fluoromethyl)piperidine
CID 153409538
[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 139533721
2-(4-fluoropiperidin-4-yl)ethanamine
CID 84731210
2-[3-(fluoromethyl)thian-3-yl]ethanamine
CID 115015000
formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
CID 143596022
2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
CID 115014342
[3-(fluoromethyl)azetidin-3-yl]methanamine
CID 105427144
1,1-bis(fluoromethyl)cyclopropane
CID 90891760
ethane;2-(3-ethylpiperidin-3-yl)ethanamine
CID 143578860
4,4-diethylpiperidine;hydrochloride
CID 75419509
4-(fluoromethyl)piperidine-4-carbaldehyde
CID 84762887
chromium;ethane-1,2-diamine;piperazine;hydrobromide
CID 173115988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine (CID 115012569) is 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine is NCCC1(CF)CCNCC1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine?
The InChIKey is SUSHGEDTSFUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c9-7-8(1-4-10)2-5-11-6-3-8/h11H,1-7,10H2.
What are the key properties of 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine?
2-[4-(fluoromethyl)piperidin-4-yl]ethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 115012569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).