(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate

C16H29NO2 — CID 3628399

IUPAC(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CC(OC(=O)CN2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-13-9-14(11-16(2,3)10-13)19-15(18)12-17-7-5-4-6-8-17/h13-14H,4-12H2,1-3H3
InChIKeyWEWRGOHUNNYMDQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds3

About (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate

(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate (PubChem CID 3628399) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate
PubChem CID3628399
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CC(OC(=O)CN2CCCCC2)CC(C)(C)C1
InChIInChI=1S/C16H29NO2/c1-13-9-14(11-16(2,3)10-13)19-15(18)12-17-7-5-4-6-8-17/h13-14H,4-12H2,1-3H3
InChIKeyWEWRGOHUNNYMDQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Tert-butylcyclohexyl) 2-piperidin-1-ylacetate
CID 738517
1-{2-[(4-Tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpiperidinium
CID 16188603
Morpholin-4-yl-acetic acid 4-tert-butyl-cyclohexyl ester
CID 950349
C18H34Ino2
CID 16189443
2-(2-Methylpropyl)cyclohexyl piperidin-1-ylacetate
CID 3268412
2-(2-Methylpropyl)cyclohexyl 2-(methylpiperidyl)acetate
CID 3122277
(2,4-Dimethylcyclohexyl)methyl piperidin-1-ylacetate
CID 3287793
1-{2-[(4-Tert-butylcyclohexyl)oxy]-2-oxoethyl}-1-methylpiperidin-1-ium
CID 4583712
Niosh/TN4721510
CID 24842833
Ethyl 2-[4-[2-hydroxy-3-(3,3,5-trimethylcyclohexyl)oxypropyl]morpholin-4-ium-4-yl]acetate
CID 3537544
[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-piperidin-1-ylacetate
CID 25154980
Spiro[5,5]undecane, 3-oxa-4,4-dimethyl-8-aza-8-ethoxycarbonylmethyl-
CID 607316

Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate (CID 3628399) is (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate is CC1CC(OC(=O)CN2CCCCC2)CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate?
The InChIKey is WEWRGOHUNNYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-9-14(11-16(2,3)10-13)19-15(18)12-17-7-5-4-6-8-17/h13-14H,4-12H2,1-3H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate?
(3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 2-piperidin-1-ylacetate is sourced from PubChem (CID 3628399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).