[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate

C17H33NO2 — CID 2255143

IUPAC[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate
SMILESCC(C)CCC[C@H](C)CCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyLWOLFMVSELLFPY-INIZCTEOSA-N
MW283.46 g/mol
LogP3.87
Rot. Bonds9

About [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate

[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate (PubChem CID 2255143) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate
PubChem CID2255143
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate
SMILESCC(C)CCC[C@H](C)CCOC(=O)CN1CCCCC1
InChIInChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3/t16-/m0/s1
InChIKeyLWOLFMVSELLFPY-INIZCTEOSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyloctyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
CID 3122286
3,7-dimethyloctyl pentanoate
CID 3022687
ethyl 2-(azocan-1-yl)acetate
CID 25219274
[(3R)-3,7-dimethyloctyl] octadecanoate
CID 98525173
3,7,11,15-tetramethylhexadecyl octanoate
CID 87585610
propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
CID 166505156
3,7-dimethyloctyl (2S)-pyrrolidine-2-carboxylate
CID 170167883
7-O-(3,7-dimethyloctyl) 1-O-octyl heptanedioate
CID 91718434
decyl 2-[2-(3,7-dimethyloctoxy)-2-oxoethoxy]acetate
CID 91714977
3,7,11-trimethyldodecyl (E)-octadec-9-enoate
CID 166045700
dimethyl-bis[2-(4,8,12-trimethyltridecanoyloxy)ethyl]azanium
CID 58133426

Frequently Asked Questions

What is the IUPAC name of [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate?
The IUPAC name of [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate (CID 2255143) is [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate.
What is the SMILES notation for [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate?
The canonical SMILES for [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate is CC(C)CCC[C@H](C)CCOC(=O)CN1CCCCC1.
What is the InChIKey of [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate?
The InChIKey is LWOLFMVSELLFPY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33NO2/c1-15(2)8-7-9-16(3)10-13-20-17(19)14-18-11-5-4-6-12-18/h15-16H,4-14H2,1-3H3/t16-/m0/s1.
What are the key properties of [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate?
[(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate has a molecular weight of 283.46 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,7-dimethyloctyl] 2-piperidin-1-ylacetate is sourced from PubChem (CID 2255143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).