(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine

C15H28FN3 — CID 174317421

IUPAC(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine
SMILESC=C(CN)N1C[C@@H](F)C[C@@H](N(CCC)C(=C)CC)C1
InChIInChI=1S/C15H28FN3/c1-5-7-19(12(3)6-2)15-8-14(16)10-18(11-15)13(4)9-17/h14-15H,3-11,17H2,1-2H3/t14-,15+/m0/s1
InChIKeyFMMBKFIDPHEOLS-LSDHHAIUSA-N
MW269.41 g/mol
LogP2.51
Rot. Bonds7

About (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine

(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine (PubChem CID 174317421) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine
PubChem CID174317421
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine
SMILESC=C(CN)N1C[C@@H](F)C[C@@H](N(CCC)C(=C)CC)C1
InChIInChI=1S/C15H28FN3/c1-5-7-19(12(3)6-2)15-8-14(16)10-18(11-15)13(4)9-17/h14-15H,3-11,17H2,1-2H3/t14-,15+/m0/s1
InChIKeyFMMBKFIDPHEOLS-LSDHHAIUSA-N
XLogP2.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine?
The IUPAC name of (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine (CID 174317421) is (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine is C=C(CN)N1C[C@@H](F)C[C@@H](N(CCC)C(=C)CC)C1.
What is the InChIKey of (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine?
The InChIKey is FMMBKFIDPHEOLS-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H28FN3/c1-5-7-19(12(3)6-2)15-8-14(16)10-18(11-15)13(4)9-17/h14-15H,3-11,17H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine?
(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine has a molecular weight of 269.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine is sourced from PubChem (CID 174317421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).