(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine

C12H20FN3 — CID 129488444

IUPAC(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cncc1CCN1CCC[C@](C)(F)C1
InChIInChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeySXWVENNBAXJHRO-LBPRGKRZSA-N
MW225.31 g/mol
LogP1.79
Rot. Bonds3

About (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine

(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine (PubChem CID 129488444) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
PubChem CID129488444
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cncc1CCN1CCC[C@](C)(F)C1
InChIInChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeySXWVENNBAXJHRO-LBPRGKRZSA-N
XLogP1.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine (CID 129488444) is (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine is Cn1cncc1CCN1CCC[C@](C)(F)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
The InChIKey is SXWVENNBAXJHRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20FN3/c1-12(13)5-3-6-16(9-12)7-4-11-8-14-10-15(11)2/h8,10H,3-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine?
(3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-1-[2-(3-methylimidazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 129488444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).