1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine

C16H23F2N — CID 118551789

IUPAC1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C16H23F2N/c1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyXYVYXGXVRLSOTA-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.25
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine

1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine (PubChem CID 118551789) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine
PubChem CID118551789
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1
InChIInChI=1S/C16H23F2N/c1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyXYVYXGXVRLSOTA-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine (CID 118551789) is 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C2CCN(CC(F)F)CC2)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine?
The InChIKey is XYVYXGXVRLSOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-12(2)13-3-5-14(6-4-13)15-7-9-19(10-8-15)11-16(17)18/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine?
1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine has a molecular weight of 267.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 118551789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).