1-[12-(2,2-difluoropropoxy)dodecyl]piperidine

C20H39F2NO — CID 58341553

IUPAC1-[12-(2,2-difluoropropoxy)dodecyl]piperidine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C20H39F2NO/c1-20(21,22)19-24-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-19H2,1H3
InChIKeyUCYWOQMWQFXGIM-UHFFFAOYSA-N
MW347.53 g/mol
LogP6.05
Rot. Bonds15

About 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine

1-[12-(2,2-difluoropropoxy)dodecyl]piperidine (PubChem CID 58341553) has the molecular formula C20H39F2NO and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine.

Molecular Properties

Compound Name1-[12-(2,2-difluoropropoxy)dodecyl]piperidine
PubChem CID58341553
Molecular FormulaC20H39F2NO
Molecular Weight347.53 g/mol
Exact Mass347.30
IUPAC Name1-[12-(2,2-difluoropropoxy)dodecyl]piperidine
SMILESCC(F)(F)COCCCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C20H39F2NO/c1-20(21,22)19-24-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-19H2,1H3
InChIKeyUCYWOQMWQFXGIM-UHFFFAOYSA-N
XLogP6.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.05
H-Bond Donors ≤ 50
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 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine?
The IUPAC name of 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine (CID 58341553) is 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine.
What is the SMILES notation for 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine?
The canonical SMILES for 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine is CC(F)(F)COCCCCCCCCCCCCN1CCCCC1.
What is the InChIKey of 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine?
The InChIKey is UCYWOQMWQFXGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F2NO/c1-20(21,22)19-24-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-19H2,1H3.
What are the key properties of 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine?
1-[12-(2,2-difluoropropoxy)dodecyl]piperidine has a molecular weight of 347.53 g/mol, XLogP of 6.05, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[12-(2,2-difluoropropoxy)dodecyl]piperidine is sourced from PubChem (CID 58341553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).