(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate

C17H31NO2 — CID 3092154

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3
InChIKeyOGERQOKJJMDILG-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.48
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate (PubChem CID 3092154) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
PubChem CID3092154
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CN2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3
InChIKeyOGERQOKJJMDILG-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylpiperidin-1-yl)acetate
CID 3221410
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
CID 7420672
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 95354015
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate;hydrochloride
CID 67305263
[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxyacetate
CID 175905801
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybutanoate
CID 134294532
(5-methyl-2-propan-2-ylcyclohexyl) 3-(5-methyl-2-propan-2-ylcyclohexyl)butanoate
CID 23619357

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate (CID 3092154) is (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate is CC1CCC(C(C)C)C(OC(=O)CN2CCCCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate?
The InChIKey is OGERQOKJJMDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18/h13-16H,4-12H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate has a molecular weight of 281.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate is sourced from PubChem (CID 3092154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).