(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate

C17H31NO2 — CID 738517

IUPAC(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)14-7-9-15(10-8-14)20-16(19)13-18-11-5-4-6-12-18/h14-15H,4-13H2,1-3H3
InChIKeyBFSVLWJOPCYXNM-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.62
Rot. Bonds3

About (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate

(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate (PubChem CID 738517) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate
PubChem CID738517
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate
SMILESCC(C)(C)C1CCC(OC(=O)CN2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)14-7-9-15(10-8-14)20-16(19)13-18-11-5-4-6-12-18/h14-15H,4-13H2,1-3H3
InChIKeyBFSVLWJOPCYXNM-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate (CID 738517) is (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate is CC(C)(C)C1CCC(OC(=O)CN2CCCCC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate?
The InChIKey is BFSVLWJOPCYXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)14-7-9-15(10-8-14)20-16(19)13-18-11-5-4-6-12-18/h14-15H,4-13H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate?
(4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate has a molecular weight of 281.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-piperidin-1-ylacetate is sourced from PubChem (CID 738517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).