4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine

C11H21FN2 — CID 115022069

IUPAC4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine
SMILESCN1CCC(C2CNCC2(C)F)CC1
InChIInChI=1S/C11H21FN2/c1-11(12)8-13-7-10(11)9-3-5-14(2)6-4-9/h9-10,13H,3-8H2,1-2H3
InChIKeyMRRMBRYFRDUPQX-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.28
Rot. Bonds1

About 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine

4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine (PubChem CID 115022069) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine
PubChem CID115022069
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine
SMILESCN1CCC(C2CNCC2(C)F)CC1
InChIInChI=1S/C11H21FN2/c1-11(12)8-13-7-10(11)9-3-5-14(2)6-4-9/h9-10,13H,3-8H2,1-2H3
InChIKeyMRRMBRYFRDUPQX-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine (CID 115022069) is 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine is CN1CCC(C2CNCC2(C)F)CC1.
What is the InChIKey of 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine?
The InChIKey is MRRMBRYFRDUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-11(12)8-13-7-10(11)9-3-5-14(2)6-4-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine?
4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine has a molecular weight of 200.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-4-methylpyrrolidin-3-yl)-1-methylpiperidine is sourced from PubChem (CID 115022069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).