(1-butyl-4-cyclohexylpiperidin-4-yl) acetate

C17H31NO2 — CID 3048576

IUPAC(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
SMILESCCCCN1CCC(OC(C)=O)(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-4-12-18-13-10-17(11-14-18,20-15(2)19)16-8-6-5-7-9-16/h16H,3-14H2,1-2H3
InChIKeyQLIUQTZZXCNKJS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.76
Rot. Bonds5

About (1-butyl-4-cyclohexylpiperidin-4-yl) acetate

(1-butyl-4-cyclohexylpiperidin-4-yl) acetate (PubChem CID 3048576) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (1-butyl-4-cyclohexylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
PubChem CID3048576
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
SMILESCCCCN1CCC(OC(C)=O)(C2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-3-4-12-18-13-10-17(11-14-18,20-15(2)19)16-8-6-5-7-9-16/h16H,3-14H2,1-2H3
InChIKeyQLIUQTZZXCNKJS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-cyclohexylpiperidin-4-yl) acetate?
The IUPAC name of (1-butyl-4-cyclohexylpiperidin-4-yl) acetate (CID 3048576) is (1-butyl-4-cyclohexylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-butyl-4-cyclohexylpiperidin-4-yl) acetate?
The canonical SMILES for (1-butyl-4-cyclohexylpiperidin-4-yl) acetate is CCCCN1CCC(OC(C)=O)(C2CCCCC2)CC1.
What is the InChIKey of (1-butyl-4-cyclohexylpiperidin-4-yl) acetate?
The InChIKey is QLIUQTZZXCNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-4-12-18-13-10-17(11-14-18,20-15(2)19)16-8-6-5-7-9-16/h16H,3-14H2,1-2H3.
What are the key properties of (1-butyl-4-cyclohexylpiperidin-4-yl) acetate?
(1-butyl-4-cyclohexylpiperidin-4-yl) acetate has a molecular weight of 281.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-cyclohexylpiperidin-4-yl) acetate is sourced from PubChem (CID 3048576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).