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

C13H25FN2 — CID 155599537

IUPAC4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine
SMILESCC(C)CC1(F)CN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H25FN2/c1-11(2)8-13(14)9-16(10-13)12-4-6-15(3)7-5-12/h11-12H,4-10H2,1-3H3
InChIKeyRWVFSEQPSLDLQG-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.15
Rot. Bonds3

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

4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine (PubChem CID 155599537) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine
PubChem CID155599537
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine
SMILESCC(C)CC1(F)CN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H25FN2/c1-11(2)8-13(14)9-16(10-13)12-4-6-15(3)7-5-12/h11-12H,4-10H2,1-3H3
InChIKeyRWVFSEQPSLDLQG-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine (CID 155599537) is 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine is CC(C)CC1(F)CN(C2CCN(C)CC2)C1.
What is the InChIKey of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine?
The InChIKey is RWVFSEQPSLDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11(2)8-13(14)9-16(10-13)12-4-6-15(3)7-5-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine?
4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-methylpiperidine is sourced from PubChem (CID 155599537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).