2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine

C8H17FN2 — CID 115012585

IUPAC2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
SMILESCC1(F)CCCN(CCN)C1
InChIInChI=1S/C8H17FN2/c1-8(9)3-2-5-11(7-8)6-4-10/h2-7,10H2,1H3
InChIKeyFBCTXTHETUHAHS-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds2

About 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine

2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine (PubChem CID 115012585) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
PubChem CID115012585
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
SMILESCC1(F)CCCN(CCN)C1
InChIInChI=1S/C8H17FN2/c1-8(9)3-2-5-11(7-8)6-4-10/h2-7,10H2,1H3
InChIKeyFBCTXTHETUHAHS-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-3-methylpiperidin-1-yl)propan-1-ol
CID 126793849
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
3-fluoro-3-methylpiperidin-1-amine
CID 118303158
(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
CID 127002189
ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
CID 142194562
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-(azetidin-1-yl)-2-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 126790320
2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine (CID 115012585) is 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine is CC1(F)CCCN(CCN)C1.
What is the InChIKey of 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine?
The InChIKey is FBCTXTHETUHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(9)3-2-5-11(7-8)6-4-10/h2-7,10H2,1H3.
What are the key properties of 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine?
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 115012585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).