2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine

C12H23FN2 — CID 23190315

IUPAC2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCNC(CN2CCC(F)C2)C1
InChIInChI=1S/C12H23FN2/c1-12(2)4-5-14-11(7-12)9-15-6-3-10(13)8-15/h10-11,14H,3-9H2,1-2H3
InChIKeyWNNVTXNALKFFKT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.81
Rot. Bonds2

About 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine

2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine (PubChem CID 23190315) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
PubChem CID23190315
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
SMILESCC1(C)CCNC(CN2CCC(F)C2)C1
InChIInChI=1S/C12H23FN2/c1-12(2)4-5-14-11(7-12)9-15-6-3-10(13)8-15/h10-11,14H,3-9H2,1-2H3
InChIKeyWNNVTXNALKFFKT-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine?
The IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine (CID 23190315) is 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine?
The canonical SMILES for 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine is CC1(C)CCNC(CN2CCC(F)C2)C1.
What is the InChIKey of 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine?
The InChIKey is WNNVTXNALKFFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-12(2)4-5-14-11(7-12)9-15-6-3-10(13)8-15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine?
2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine has a molecular weight of 214.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 23190315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).