4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine

C17H32F2N2 — CID 154671076

IUPAC4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCCC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H32F2N2/c1-5-14(4)10-15-11-21(12-17(15,18)19)16-6-8-20(9-7-16)13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyFMXFAFGOSFKWID-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.86
Rot. Bonds5

About 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine

4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 154671076) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID154671076
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCCC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C17H32F2N2/c1-5-14(4)10-15-11-21(12-17(15,18)19)16-6-8-20(9-7-16)13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyFMXFAFGOSFKWID-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine 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 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine (CID 154671076) is 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine is CCC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is FMXFAFGOSFKWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-5-14(4)10-15-11-21(12-17(15,18)19)16-6-8-20(9-7-16)13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 302.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-4-(2-methylbutyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 154671076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).