(2-phenylpiperidin-2-yl)methyl acetate

C14H19NO2 — CID 141381803

IUPAC(2-phenylpiperidin-2-yl)methyl acetate
SMILESCC(=O)OCC1(c2ccccc2)CCCCN1
InChIInChI=1S/C14H19NO2/c1-12(16)17-11-14(9-5-6-10-15-14)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-11H2,1H3
InChIKeyKOAQREGDWAFVIR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds3

About (2-phenylpiperidin-2-yl)methyl acetate

(2-phenylpiperidin-2-yl)methyl acetate (PubChem CID 141381803) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-phenylpiperidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(2-phenylpiperidin-2-yl)methyl acetate
PubChem CID141381803
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2-phenylpiperidin-2-yl)methyl acetate
SMILESCC(=O)OCC1(c2ccccc2)CCCCN1
InChIInChI=1S/C14H19NO2/c1-12(16)17-11-14(9-5-6-10-15-14)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-11H2,1H3
InChIKeyKOAQREGDWAFVIR-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-propylazepane
CID 79117631
2-(2-phenylpyrrolidin-2-yl)acetaldehyde
CID 123138348
2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
CID 117272084
methyl 2-phenylazepane-2-carboxylate
CID 102027504
[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
CID 102001590
2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
(2-phenylpiperidin-2-yl) butanoate
CID 67534938
2-phenylpiperidin-2-ol
CID 173102945
[2-(4-methylphenyl)piperidin-2-yl]methanamine
CID 115059311
2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
CID 115059093

Frequently Asked Questions

What is the IUPAC name of (2-phenylpiperidin-2-yl)methyl acetate?
The IUPAC name of (2-phenylpiperidin-2-yl)methyl acetate (CID 141381803) is (2-phenylpiperidin-2-yl)methyl acetate.
What is the SMILES notation for (2-phenylpiperidin-2-yl)methyl acetate?
The canonical SMILES for (2-phenylpiperidin-2-yl)methyl acetate is CC(=O)OCC1(c2ccccc2)CCCCN1.
What is the InChIKey of (2-phenylpiperidin-2-yl)methyl acetate?
The InChIKey is KOAQREGDWAFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(16)17-11-14(9-5-6-10-15-14)13-7-3-2-4-8-13/h2-4,7-8,15H,5-6,9-11H2,1H3.
What are the key properties of (2-phenylpiperidin-2-yl)methyl acetate?
(2-phenylpiperidin-2-yl)methyl acetate has a molecular weight of 233.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpiperidin-2-yl)methyl acetate is sourced from PubChem (CID 141381803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).