1-fluoro-1-piperidin-4-ylpropan-2-amine

C8H17FN2 — CID 105431459

IUPAC1-fluoro-1-piperidin-4-ylpropan-2-amine
SMILESCC(N)C(F)C1CCNCC1
InChIInChI=1S/C8H17FN2/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8,11H,2-5,10H2,1H3
InChIKeyDQNSEFHJASXFCE-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.67
Rot. Bonds2

About 1-fluoro-1-piperidin-4-ylpropan-2-amine

1-fluoro-1-piperidin-4-ylpropan-2-amine (PubChem CID 105431459) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-fluoro-1-piperidin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-piperidin-4-ylpropan-2-amine
PubChem CID105431459
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-fluoro-1-piperidin-4-ylpropan-2-amine
SMILESCC(N)C(F)C1CCNCC1
InChIInChI=1S/C8H17FN2/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8,11H,2-5,10H2,1H3
InChIKeyDQNSEFHJASXFCE-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

1-cyclopropyl-1-fluoropropan-2-amine
CID 105427110
4-[(1R)-1-fluoroethyl]piperidine
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4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763
4-(1-fluoro-4-methylpentyl)piperidine
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4-(1-fluoroethyl)azepane
CID 105428868
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
4-(1-fluorobut-2-ynyl)piperidine
CID 130515854
3-methyl-2-piperidin-4-ylbutan-1-amine
CID 82598281
3-piperidin-4-ylbutan-2-ol
CID 154192279
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-piperidin-4-ylpropan-2-amine?
The IUPAC name of 1-fluoro-1-piperidin-4-ylpropan-2-amine (CID 105431459) is 1-fluoro-1-piperidin-4-ylpropan-2-amine.
What is the SMILES notation for 1-fluoro-1-piperidin-4-ylpropan-2-amine?
The canonical SMILES for 1-fluoro-1-piperidin-4-ylpropan-2-amine is CC(N)C(F)C1CCNCC1.
What is the InChIKey of 1-fluoro-1-piperidin-4-ylpropan-2-amine?
The InChIKey is DQNSEFHJASXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-6(10)8(9)7-2-4-11-5-3-7/h6-8,11H,2-5,10H2,1H3.
What are the key properties of 1-fluoro-1-piperidin-4-ylpropan-2-amine?
1-fluoro-1-piperidin-4-ylpropan-2-amine has a molecular weight of 160.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-piperidin-4-ylpropan-2-amine is sourced from PubChem (CID 105431459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).