[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate

C19H27NO2 — CID 15925834

IUPAC[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c1-15(21)22-19-10-6-5-9-18(19)20-13-11-17(12-14-20)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3
InChIKeyWBRYRGYPAAEGHD-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.74
Rot. Bonds3

About [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate

[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate (PubChem CID 15925834) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate.

Molecular Properties

Compound Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate
PubChem CID15925834
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate
SMILESCC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H27NO2/c1-15(21)22-19-10-6-5-9-18(19)20-13-11-17(12-14-20)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3
InChIKeyWBRYRGYPAAEGHD-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate?
The IUPAC name of [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate (CID 15925834) is [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate.
What is the SMILES notation for [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate?
The canonical SMILES for [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate is CC(=O)OC1CCCCC1N1CCC(c2ccccc2)CC1.
What is the InChIKey of [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate?
The InChIKey is WBRYRGYPAAEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-15(21)22-19-10-6-5-9-18(19)20-13-11-17(12-14-20)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3.
What are the key properties of [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate?
[2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate has a molecular weight of 301.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylpiperidin-1-yl)cyclohexyl] acetate is sourced from PubChem (CID 15925834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).