2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine

C14H25F2NO — CID 114224266

IUPAC2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine
SMILESFC1(F)CCCC(COCCC2CCCCN2)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)7-3-4-12(10-14)11-18-9-6-13-5-1-2-8-17-13/h12-13,17H,1-11H2
InChIKeyYILBLMKVUZXAIX-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.36
Rot. Bonds5

About 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine

2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine (PubChem CID 114224266) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine
PubChem CID114224266
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine
SMILESFC1(F)CCCC(COCCC2CCCCN2)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)7-3-4-12(10-14)11-18-9-6-13-5-1-2-8-17-13/h12-13,17H,1-11H2
InChIKeyYILBLMKVUZXAIX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine?
The IUPAC name of 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine (CID 114224266) is 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine?
The canonical SMILES for 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine is FC1(F)CCCC(COCCC2CCCCN2)C1.
What is the InChIKey of 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine?
The InChIKey is YILBLMKVUZXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c15-14(16)7-3-4-12(10-14)11-18-9-6-13-5-1-2-8-17-13/h12-13,17H,1-11H2.
What are the key properties of 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine?
2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 114224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).