4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine

C12H22F2N2 — CID 59603510

IUPAC4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(N2CCC2)C(F)(F)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16/h10-11H,3-9H2,1-2H3
InChIKeyFNJPDLSMJXQRLE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds3

About 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine

4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine (PubChem CID 59603510) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
PubChem CID59603510
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(N2CCC2)C(F)(F)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16/h10-11H,3-9H2,1-2H3
InChIKeyFNJPDLSMJXQRLE-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine (CID 59603510) is 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(N2CCC2)C(F)(F)C1.
What is the InChIKey of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine?
The InChIKey is FNJPDLSMJXQRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine?
4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine has a molecular weight of 232.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 59603510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).