4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine

C10H19FN2 — CID 178039506

IUPAC4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine
SMILESC/C=C/C1(F)C(C)CN(C)CC1N
InChIInChI=1S/C10H19FN2/c1-4-5-10(11)8(2)6-13(3)7-9(10)12/h4-5,8-9H,6-7,12H2,1-3H3/b5-4+
InChIKeyLQAWLYYUXQENBG-SNAWJCMRSA-N
MW186.27 g/mol
LogP1.18
Rot. Bonds1

About 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine

4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine (PubChem CID 178039506) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine.

Molecular Properties

Compound Name4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine
PubChem CID178039506
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine
SMILESC/C=C/C1(F)C(C)CN(C)CC1N
InChIInChI=1S/C10H19FN2/c1-4-5-10(11)8(2)6-13(3)7-9(10)12/h4-5,8-9H,6-7,12H2,1-3H3/b5-4+
InChIKeyLQAWLYYUXQENBG-SNAWJCMRSA-N
XLogP1.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.18
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 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine?
The IUPAC name of 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine (CID 178039506) is 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine.
What is the SMILES notation for 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine?
The canonical SMILES for 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine is C/C=C/C1(F)C(C)CN(C)CC1N.
What is the InChIKey of 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine?
The InChIKey is LQAWLYYUXQENBG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19FN2/c1-4-5-10(11)8(2)6-13(3)7-9(10)12/h4-5,8-9H,6-7,12H2,1-3H3/b5-4+.
What are the key properties of 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine?
4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine has a molecular weight of 186.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-dimethyl-4-[(E)-prop-1-enyl]piperidin-3-amine is sourced from PubChem (CID 178039506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).