12-piperidin-1-yldodecyl 2,2-difluoropropanoate

C20H37F2NO2 — CID 58341581

IUPAC12-piperidin-1-yldodecyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C20H37F2NO2/c1-20(21,22)19(24)25-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-18H2,1H3
InChIKeyWJVYLWRYDVARFS-UHFFFAOYSA-N
MW361.52 g/mol
LogP5.57
Rot. Bonds14

About 12-piperidin-1-yldodecyl 2,2-difluoropropanoate

12-piperidin-1-yldodecyl 2,2-difluoropropanoate (PubChem CID 58341581) has the molecular formula C20H37F2NO2 and a molecular weight of 361.52 g/mol. Its IUPAC name is 12-piperidin-1-yldodecyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name12-piperidin-1-yldodecyl 2,2-difluoropropanoate
PubChem CID58341581
Molecular FormulaC20H37F2NO2
Molecular Weight361.52 g/mol
Exact Mass361.28
IUPAC Name12-piperidin-1-yldodecyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCCCCCN1CCCCC1
InChIInChI=1S/C20H37F2NO2/c1-20(21,22)19(24)25-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-18H2,1H3
InChIKeyWJVYLWRYDVARFS-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

C19H38Ino2
CID 16192865
N,N-Dibutyl-beta-alanine 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester
CID 5463772
11-(Methylpiperidyl)undecyl acetate
CID 3115180
1-(Dimethylamino)octyl 2,2,2-trifluoroacetate
CID 57108617
8-Morpholin-4-yloctyl 2,2-difluoropropanoate
CID 58341551
1-[8-(2,2-Difluoropropoxy)octyl]piperidine
CID 58341552
1-[12-(2,2-Difluoropropoxy)dodecyl]piperidine
CID 58341553
8-Piperidin-1-yloctyl 2,2-difluoropropanoate
CID 58341561
12-Pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
8-Pyrrolidin-1-yloctyl 2,2-difluoropropanoate
CID 58341570
12-Morpholin-4-yldodecyl 2,2-difluoropropanoate
CID 58341584
6-Morpholin-4-ylhexyl 2,2-difluoropropanoate
CID 58341585

Frequently Asked Questions

What is the IUPAC name of 12-piperidin-1-yldodecyl 2,2-difluoropropanoate?
The IUPAC name of 12-piperidin-1-yldodecyl 2,2-difluoropropanoate (CID 58341581) is 12-piperidin-1-yldodecyl 2,2-difluoropropanoate.
What is the SMILES notation for 12-piperidin-1-yldodecyl 2,2-difluoropropanoate?
The canonical SMILES for 12-piperidin-1-yldodecyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCCCCCCCCN1CCCCC1.
What is the InChIKey of 12-piperidin-1-yldodecyl 2,2-difluoropropanoate?
The InChIKey is WJVYLWRYDVARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2NO2/c1-20(21,22)19(24)25-18-14-9-7-5-3-2-4-6-8-11-15-23-16-12-10-13-17-23/h2-18H2,1H3.
What are the key properties of 12-piperidin-1-yldodecyl 2,2-difluoropropanoate?
12-piperidin-1-yldodecyl 2,2-difluoropropanoate has a molecular weight of 361.52 g/mol, XLogP of 5.57, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-piperidin-1-yldodecyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).