1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine

C14H25F2N — CID 58395452

IUPAC1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H25F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13/h11-13H,3-10H2,1-2H3
InChIKeyXPBAHOOAOSFSMJ-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.93
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine

1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine (PubChem CID 58395452) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine
PubChem CID58395452
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H25F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13/h11-13H,3-10H2,1-2H3
InChIKeyXPBAHOOAOSFSMJ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Paramethylcyclohexylpiperidine
CID 20758846
1,2,4,5-Tetramethylpiperidine
CID 53631058
4-Butyl-1-(4-fluorocyclohexyl)piperidine
CID 20268602
1-(4-Fluorocyclohexyl)-4-propylpiperidine
CID 20268636
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(4-methylcyclohexyl)piperidine
CID 22501126
3,3-Difluoro-5-methyl-1-propan-2-ylpiperidine
CID 44239161
1-[1-(Trifluoromethyl)cyclohexyl]piperidine
CID 54169363
(3R)-1-(2,2-difluoroethyl)-3-ethylpiperidine
CID 57640116
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 57956285
3-(Difluoromethyl)-1-propan-2-ylpiperidine
CID 58029803
(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine
CID 58030220
(3R)-3-(difluoromethyl)-1-propan-2-ylpiperidine
CID 58030241

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine (CID 58395452) is 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine?
The InChIKey is XPBAHOOAOSFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine?
1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine has a molecular weight of 245.36 g/mol, XLogP of 3.93, 2 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-propan-2-ylpiperidine is sourced from PubChem (CID 58395452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).