4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine

C10H18F2N2 — CID 68657787

IUPAC4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine
SMILESCCN1CCC(N2CCC2)C(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-2-13-7-4-9(10(11,12)8-13)14-5-3-6-14/h9H,2-8H2,1H3
InChIKeyBHYSMEYQBNQDBZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.42
Rot. Bonds2

About 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine

4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine (PubChem CID 68657787) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine
PubChem CID68657787
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine
SMILESCCN1CCC(N2CCC2)C(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-2-13-7-4-9(10(11,12)8-13)14-5-3-6-14/h9H,2-8H2,1H3
InChIKeyBHYSMEYQBNQDBZ-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.42
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)-1-ethyl-3,3-difluoropiperidine?
The IUPAC name of 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine (CID 68657787) is 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine.
What is the SMILES notation for 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine?
The canonical SMILES for 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine is CCN1CCC(N2CCC2)C(F)(F)C1.
What is the InChIKey of 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine?
The InChIKey is BHYSMEYQBNQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-2-13-7-4-9(10(11,12)8-13)14-5-3-6-14/h9H,2-8H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine?
4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine has a molecular weight of 204.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1-ethyl-3,3-difluoropiperidine is sourced from PubChem (CID 68657787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).