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

C11H21FN2 — CID 115022055

IUPAC4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1(F)CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-11(12)4-7-14(9-11)8-10-2-5-13-6-3-10/h10,13H,2-9H2,1H3
InChIKeyXGXQDCCWUPBLGU-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds2

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

4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 115022055) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine
PubChem CID115022055
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1(F)CCN(CC2CCNCC2)C1
InChIInChI=1S/C11H21FN2/c1-11(12)4-7-14(9-11)8-10-2-5-13-6-3-10/h10,13H,2-9H2,1H3
InChIKeyXGXQDCCWUPBLGU-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine (CID 115022055) is 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine is CC1(F)CCN(CC2CCNCC2)C1.
What is the InChIKey of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is XGXQDCCWUPBLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-11(12)4-7-14(9-11)8-10-2-5-13-6-3-10/h10,13H,2-9H2,1H3.
What are the key properties of 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine?
4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 200.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 115022055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).