2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine

C15H28FNO — CID 113462345

IUPAC2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine
SMILESCC(F)(CCCC1CCCO1)CC1CCCCN1
InChIInChI=1S/C15H28FNO/c1-15(16,12-13-6-2-3-10-17-13)9-4-7-14-8-5-11-18-14/h13-14,17H,2-12H2,1H3
InChIKeyLMOFJQHNMLRAGC-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine

2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine (PubChem CID 113462345) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine.

Molecular Properties

Compound Name2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine
PubChem CID113462345
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine
SMILESCC(F)(CCCC1CCCO1)CC1CCCCN1
InChIInChI=1S/C15H28FNO/c1-15(16,12-13-6-2-3-10-17-13)9-4-7-14-8-5-11-18-14/h13-14,17H,2-12H2,1H3
InChIKeyLMOFJQHNMLRAGC-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine?
The IUPAC name of 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine (CID 113462345) is 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine.
What is the SMILES notation for 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine?
The canonical SMILES for 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine is CC(F)(CCCC1CCCO1)CC1CCCCN1.
What is the InChIKey of 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine?
The InChIKey is LMOFJQHNMLRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-15(16,12-13-6-2-3-10-17-13)9-4-7-14-8-5-11-18-14/h13-14,17H,2-12H2,1H3.
What are the key properties of 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine?
2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine has a molecular weight of 257.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-2-methyl-5-(oxolan-2-yl)pentyl]piperidine is sourced from PubChem (CID 113462345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).