1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine

C11H21FN2 — CID 130905098

IUPAC1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2(F)CC2)CC1
InChIInChI=1S/C11H21FN2/c1-9(13)10-2-6-14(7-3-10)8-11(12)4-5-11/h9-10H,2-8,13H2,1H3
InChIKeyLPODELWUCXFIOL-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.55
Rot. Bonds3

About 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 130905098) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
PubChem CID130905098
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2(F)CC2)CC1
InChIInChI=1S/C11H21FN2/c1-9(13)10-2-6-14(7-3-10)8-11(12)4-5-11/h9-10H,2-8,13H2,1H3
InChIKeyLPODELWUCXFIOL-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine (CID 130905098) is 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(CC2(F)CC2)CC1.
What is the InChIKey of 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is LPODELWUCXFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-9(13)10-2-6-14(7-3-10)8-11(12)4-5-11/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 200.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 130905098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).