tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate

C18H26F2N2O2 — CID 18187601

IUPACtert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(F)(F)c2cccnc2)CC1
InChIInChI=1S/C18H26F2N2O2/c1-17(2,3)24-16(23)22-11-7-14(8-12-22)6-9-18(19,20)15-5-4-10-21-13-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3
InChIKeyDOLWEISXKXTJGM-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.60
Rot. Bonds4

About tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate

tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate (PubChem CID 18187601) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate
PubChem CID18187601
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC(F)(F)c2cccnc2)CC1
InChIInChI=1S/C18H26F2N2O2/c1-17(2,3)24-16(23)22-11-7-14(8-12-22)6-9-18(19,20)15-5-4-10-21-13-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3
InChIKeyDOLWEISXKXTJGM-UHFFFAOYSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate 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 tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate (CID 18187601) is tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC(F)(F)c2cccnc2)CC1.
What is the InChIKey of tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate?
The InChIKey is DOLWEISXKXTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-17(2,3)24-16(23)22-11-7-14(8-12-22)6-9-18(19,20)15-5-4-10-21-13-15/h4-5,10,13-14H,6-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate?
tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate has a molecular weight of 340.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 18187601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).