4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine

C10H19FN2 — CID 115017142

IUPAC4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine
SMILESCN1CCC(C2CNCC2F)CC1
InChIInChI=1S/C10H19FN2/c1-13-4-2-8(3-5-13)9-6-12-7-10(9)11/h8-10,12H,2-7H2,1H3
InChIKeyYDIQWOOTTWOPQI-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.89
Rot. Bonds1

About 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine

4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine (PubChem CID 115017142) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine
PubChem CID115017142
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine
SMILESCN1CCC(C2CNCC2F)CC1
InChIInChI=1S/C10H19FN2/c1-13-4-2-8(3-5-13)9-6-12-7-10(9)11/h8-10,12H,2-7H2,1H3
InChIKeyYDIQWOOTTWOPQI-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine (CID 115017142) is 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine is CN1CCC(C2CNCC2F)CC1.
What is the InChIKey of 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine?
The InChIKey is YDIQWOOTTWOPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-13-4-2-8(3-5-13)9-6-12-7-10(9)11/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine?
4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine has a molecular weight of 186.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropyrrolidin-3-yl)-1-methylpiperidine is sourced from PubChem (CID 115017142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).