(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone

C13H21F2NO — CID 58395406

IUPAC(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)C2CC2(F)F)C1
InChIInChI=1S/C13H21F2NO/c1-12(2,3)9-5-4-6-16(8-9)11(17)10-7-13(10,14)15/h9-10H,4-8H2,1-3H3
InChIKeyVQXHCJCUYGHRRZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.93
Rot. Bonds1

About (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone

(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone (PubChem CID 58395406) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone.

Molecular Properties

Compound Name(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone
PubChem CID58395406
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone
SMILESCC(C)(C)C1CCCN(C(=O)C2CC2(F)F)C1
InChIInChI=1S/C13H21F2NO/c1-12(2,3)9-5-4-6-16(8-9)11(17)10-7-13(10,14)15/h9-10H,4-8H2,1-3H3
InChIKeyVQXHCJCUYGHRRZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone?
The IUPAC name of (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone (CID 58395406) is (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone.
What is the SMILES notation for (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone?
The canonical SMILES for (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone is CC(C)(C)C1CCCN(C(=O)C2CC2(F)F)C1.
What is the InChIKey of (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone?
The InChIKey is VQXHCJCUYGHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-12(2,3)9-5-4-6-16(8-9)11(17)10-7-13(10,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone?
(3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone has a molecular weight of 245.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylpiperidin-1-yl)-(2,2-difluorocyclopropyl)methanone is sourced from PubChem (CID 58395406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).