N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine

C13H25FN2 — CID 129055443

IUPACN-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC/C=C/CF)CC1
InChIInChI=1S/C13H25FN2/c1-2-15-12-13-6-10-16(11-7-13)9-5-3-4-8-14/h3-4,13,15H,2,5-12H2,1H3/b4-3+
InChIKeyDASJWMXXIWIROB-ONEGZZNKSA-N
MW228.35 g/mol
LogP2.22
Rot. Bonds7

About N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 129055443) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
PubChem CID129055443
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC NameN-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(CC/C=C/CF)CC1
InChIInChI=1S/C13H25FN2/c1-2-15-12-13-6-10-16(11-7-13)9-5-3-4-8-14/h3-4,13,15H,2,5-12H2,1H3/b4-3+
InChIKeyDASJWMXXIWIROB-ONEGZZNKSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine (CID 129055443) is N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(CC/C=C/CF)CC1.
What is the InChIKey of N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is DASJWMXXIWIROB-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H25FN2/c1-2-15-12-13-6-10-16(11-7-13)9-5-3-4-8-14/h3-4,13,15H,2,5-12H2,1H3/b4-3+.
What are the key properties of N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 228.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 129055443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).