4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine

C14H25F2N — CID 123593620

IUPAC4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine
SMILESCC(C)C1CCCC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2N/c1-11(2)12-4-3-5-13(10-12)17-8-6-14(15,16)7-9-17/h11-13H,3-10H2,1-2H3
InChIKeyTXZBZSTWJVYEIP-UHFFFAOYSA-N
MW245.36 g/mol
LogP3.93
Rot. Bonds2

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

4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine (PubChem CID 123593620) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine
PubChem CID123593620
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine
SMILESCC(C)C1CCCC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H25F2N/c1-11(2)12-4-3-5-13(10-12)17-8-6-14(15,16)7-9-17/h11-13H,3-10H2,1-2H3
InChIKeyTXZBZSTWJVYEIP-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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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine (CID 123593620) is 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine is CC(C)C1CCCC(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine?
The InChIKey is TXZBZSTWJVYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-11(2)12-4-3-5-13(10-12)17-8-6-14(15,16)7-9-17/h11-13H,3-10H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine?
4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine 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 4,4-difluoro-1-(3-propan-2-ylcyclohexyl)piperidine is sourced from PubChem (CID 123593620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).