(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine

C8H17FN2O — CID 124748320

IUPAC(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyWRGAGXKXGAGBPZ-JGVFFNPUSA-N
MW176.23 g/mol
LogP0.00
Rot. Bonds3

About (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine

(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 124748320) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID124748320
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyWRGAGXKXGAGBPZ-JGVFFNPUSA-N
XLogP0.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
1-[(1-ethylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-amine
CID 166113474
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
3-(2-methoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490697
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
4-iodo-1-(2-methoxyethyl)piperidine
CID 126716491
4-bromo-1-(2-methoxyethyl)piperidine
CID 80679814
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine (CID 124748320) is (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CC[C@@H](N)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is WRGAGXKXGAGBPZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-12-5-4-11-3-2-8(10)7(9)6-11/h7-8H,2-6,10H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine?
(3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 176.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 124748320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).