1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine

C13H23F2N — CID 126539817

IUPAC1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2N/c1-12(2)7-9-16(10-8-12)11-3-5-13(14,15)6-4-11/h11H,3-10H2,1-2H3
InChIKeyMHZFZRFDKRHZIN-UHFFFAOYSA-N
MW231.33 g/mol
LogP3.69
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine

1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine (PubChem CID 126539817) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
PubChem CID126539817
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C13H23F2N/c1-12(2)7-9-16(10-8-12)11-3-5-13(14,15)6-4-11/h11H,3-10H2,1-2H3
InChIKeyMHZFZRFDKRHZIN-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
4,4-dimethyl-1-(4-methylcyclohexyl)piperidine
CID 20761841
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
4,4-difluoro-1-(thiolan-3-yl)piperidine
CID 121184636
4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419843
1-(3,3-difluorocyclopentyl)-4-propan-2-yl-4-(trifluoromethyl)piperidine
CID 170394797
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
CID 155895977
1-(3,3-dimethylcyclopentyl)-N,4-dimethylpiperidin-4-amine
CID 115304134

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine (CID 126539817) is 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine is CC1(C)CCN(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine?
The InChIKey is MHZFZRFDKRHZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-12(2)7-9-16(10-8-12)11-3-5-13(14,15)6-4-11/h11H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine?
1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine has a molecular weight of 231.33 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine is sourced from PubChem (CID 126539817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).