3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine

C15H29FN2 — CID 166940770

IUPAC3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine
SMILESCCCC1CCN(C2CN(CC(C)C)C2)CC1F
InChIInChI=1S/C15H29FN2/c1-4-5-13-6-7-18(11-15(13)16)14-9-17(10-14)8-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyRAUOWNCBNFEHCP-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.79
Rot. Bonds5

About 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine

3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine (PubChem CID 166940770) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine
PubChem CID166940770
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine
SMILESCCCC1CCN(C2CN(CC(C)C)C2)CC1F
InChIInChI=1S/C15H29FN2/c1-4-5-13-6-7-18(11-15(13)16)14-9-17(10-14)8-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyRAUOWNCBNFEHCP-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine?
The IUPAC name of 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine (CID 166940770) is 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine.
What is the SMILES notation for 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine?
The canonical SMILES for 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine is CCCC1CCN(C2CN(CC(C)C)C2)CC1F.
What is the InChIKey of 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine?
The InChIKey is RAUOWNCBNFEHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-4-5-13-6-7-18(11-15(13)16)14-9-17(10-14)8-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine?
3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine has a molecular weight of 256.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(2-methylpropyl)azetidin-3-yl]-4-propylpiperidine is sourced from PubChem (CID 166940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).