(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine

C14H23FN2 — CID 174317333

IUPAC(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine
SMILESC=C(CC)N1C[C@@H](F)C[C@@H](N2CCCC2=C)C1
InChIInChI=1S/C14H23FN2/c1-4-11(2)16-9-13(15)8-14(10-16)17-7-5-6-12(17)3/h13-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyKQZVMWMABRCPDI-UONOGXRCSA-N
MW238.35 g/mol
LogP2.93
Rot. Bonds3

About (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine

(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine (PubChem CID 174317333) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine
PubChem CID174317333
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine
SMILESC=C(CC)N1C[C@@H](F)C[C@@H](N2CCCC2=C)C1
InChIInChI=1S/C14H23FN2/c1-4-11(2)16-9-13(15)8-14(10-16)17-7-5-6-12(17)3/h13-14H,2-10H2,1H3/t13-,14+/m0/s1
InChIKeyKQZVMWMABRCPDI-UONOGXRCSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine?
The IUPAC name of (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine (CID 174317333) is (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine.
What is the SMILES notation for (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine?
The canonical SMILES for (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine is C=C(CC)N1C[C@@H](F)C[C@@H](N2CCCC2=C)C1.
What is the InChIKey of (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine?
The InChIKey is KQZVMWMABRCPDI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-11(2)16-9-13(15)8-14(10-16)17-7-5-6-12(17)3/h13-14H,2-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine?
(3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine has a molecular weight of 238.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-but-1-en-2-yl-3-fluoro-5-(2-methylidenepyrrolidin-1-yl)piperidine is sourced from PubChem (CID 174317333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).