[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate

C17H31NO2 — CID 3268412

IUPAC[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate
SMILESCC(C)CC1CCCCC1OC(=O)CN1CCCCC1
InChIInChI=1S/C17H31NO2/c1-14(2)12-15-8-4-5-9-16(15)20-17(19)13-18-10-6-3-7-11-18/h14-16H,3-13H2,1-2H3
InChIKeySIXWBKPDADVZKS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.62
Rot. Bonds5

About [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate

[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate (PubChem CID 3268412) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate
PubChem CID3268412
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate
SMILESCC(C)CC1CCCCC1OC(=O)CN1CCCCC1
InChIInChI=1S/C17H31NO2/c1-14(2)12-15-8-4-5-9-16(15)20-17(19)13-18-10-6-3-7-11-18/h14-16H,3-13H2,1-2H3
InChIKeySIXWBKPDADVZKS-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate?
The IUPAC name of [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate (CID 3268412) is [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate.
What is the SMILES notation for [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate?
The canonical SMILES for [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate is CC(C)CC1CCCCC1OC(=O)CN1CCCCC1.
What is the InChIKey of [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate?
The InChIKey is SIXWBKPDADVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(2)12-15-8-4-5-9-16(15)20-17(19)13-18-10-6-3-7-11-18/h14-16H,3-13H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate?
[2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate has a molecular weight of 281.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)cyclohexyl] 2-piperidin-1-ylacetate is sourced from PubChem (CID 3268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).