decyl 2-piperidin-1-ylacetate

C17H33NO2 — CID 3047188

IUPACdecyl 2-piperidin-1-ylacetate
SMILESCCCCCCCCCCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18/h2-16H2,1H3
InChIKeyURQOCTOQSUTXAX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.16
Rot. Bonds11

About decyl 2-piperidin-1-ylacetate

decyl 2-piperidin-1-ylacetate (PubChem CID 3047188) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is decyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Namedecyl 2-piperidin-1-ylacetate
PubChem CID3047188
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namedecyl 2-piperidin-1-ylacetate
SMILESCCCCCCCCCCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18/h2-16H2,1H3
InChIKeyURQOCTOQSUTXAX-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.16
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
Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride (1:1)
CID 3036596
N-(2-ethoxy-2-oxoethyl)-N,N-dimethylhexadecan-1-aminium chloride
CID 22761786
Dodeconium
CID 19670
Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, didecyl ester
CID 29016
Laurcetium Bromide
CID 71516
Dimethyl-[2-[4-methyl-4-(2-octoxy-2-oxoethyl)piperazin-4-ium-1-yl]ethyl]-(2-octoxy-2-oxoethyl)azanium dibromide
CID 137631653
Dimethyl-[2-[4-methyl-4-(2-nonoxy-2-oxoethyl)piperazin-4-ium-1-yl]ethyl]-(2-nonoxy-2-oxoethyl)azanium dibromide
CID 137642009
Cyclododecyl 2-(piperidin-1-YL)acetate
CID 3753358
2-(Hexadecyloxy)-N,N,N-trimethyl-2-oxoethan-1-aminium bromide
CID 44400444
Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, diheptyl ester
CID 23922
Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, ditetradecyl ester
CID 29002

Frequently Asked Questions

What is the IUPAC name of decyl 2-piperidin-1-ylacetate?
The IUPAC name of decyl 2-piperidin-1-ylacetate (CID 3047188) is decyl 2-piperidin-1-ylacetate.
What is the SMILES notation for decyl 2-piperidin-1-ylacetate?
The canonical SMILES for decyl 2-piperidin-1-ylacetate is CCCCCCCCCCOC(=O)CN1CCCCC1.
What is the InChIKey of decyl 2-piperidin-1-ylacetate?
The InChIKey is URQOCTOQSUTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-5-6-7-8-12-15-20-17(19)16-18-13-10-9-11-14-18/h2-16H2,1H3.
What are the key properties of decyl 2-piperidin-1-ylacetate?
decyl 2-piperidin-1-ylacetate has a molecular weight of 283.46 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 3047188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).