4,4-difluoro-1,3-di(propan-2-yl)piperidine

C11H21F2N — CID 137391659

IUPAC4,4-difluoro-1,3-di(propan-2-yl)piperidine
SMILESCC(C)C1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C11H21F2N/c1-8(2)10-7-14(9(3)4)6-5-11(10,12)13/h8-10H,5-7H2,1-4H3
InChIKeySALWUNKEZZWNFT-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds2

About 4,4-difluoro-1,3-di(propan-2-yl)piperidine

4,4-difluoro-1,3-di(propan-2-yl)piperidine (PubChem CID 137391659) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4,4-difluoro-1,3-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1,3-di(propan-2-yl)piperidine
PubChem CID137391659
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4,4-difluoro-1,3-di(propan-2-yl)piperidine
SMILESCC(C)C1CN(C(C)C)CCC1(F)F
InChIInChI=1S/C11H21F2N/c1-8(2)10-7-14(9(3)4)6-5-11(10,12)13/h8-10H,5-7H2,1-4H3
InChIKeySALWUNKEZZWNFT-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-difluoro-1,3-di(propan-2-yl)piperidine 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 4,4-difluoro-1,3-di(propan-2-yl)piperidine?
The IUPAC name of 4,4-difluoro-1,3-di(propan-2-yl)piperidine (CID 137391659) is 4,4-difluoro-1,3-di(propan-2-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1,3-di(propan-2-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1,3-di(propan-2-yl)piperidine is CC(C)C1CN(C(C)C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1,3-di(propan-2-yl)piperidine?
The InChIKey is SALWUNKEZZWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-8(2)10-7-14(9(3)4)6-5-11(10,12)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 4,4-difluoro-1,3-di(propan-2-yl)piperidine?
4,4-difluoro-1,3-di(propan-2-yl)piperidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-di(propan-2-yl)piperidine is sourced from PubChem (CID 137391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).