4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine

C12H23FN2 — CID 77147802

IUPAC4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
SMILESCC1CCN(CCN2CCC(F)CC2)C1
InChIInChI=1S/C12H23FN2/c1-11-2-5-15(10-11)9-8-14-6-3-12(13)4-7-14/h11-12H,2-10H2,1H3
InChIKeyRBBOTIFDRGMVQY-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.76
Rot. Bonds3

About 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine

4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine (PubChem CID 77147802) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
PubChem CID77147802
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
SMILESCC1CCN(CCN2CCC(F)CC2)C1
InChIInChI=1S/C12H23FN2/c1-11-2-5-15(10-11)9-8-14-6-3-12(13)4-7-14/h11-12H,2-10H2,1H3
InChIKeyRBBOTIFDRGMVQY-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The IUPAC name of 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine (CID 77147802) is 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The canonical SMILES for 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine is CC1CCN(CCN2CCC(F)CC2)C1.
What is the InChIKey of 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
The InChIKey is RBBOTIFDRGMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-11-2-5-15(10-11)9-8-14-6-3-12(13)4-7-14/h11-12H,2-10H2,1H3.
What are the key properties of 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine?
4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine has a molecular weight of 214.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 77147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).