[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate

C16H23NO2 — CID 708780

IUPAC[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate
SMILESCC(=O)O[C@@]1(c2ccccc2)CCN(C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-13(18)19-16(14-8-6-5-7-9-14)10-11-17(4)12-15(16,2)3/h5-9H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyPKHXKOWXJNZTIG-MRXNPFEDSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds2

About [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate

[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate (PubChem CID 708780) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate.

Molecular Properties

Compound Name[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate
PubChem CID708780
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate
SMILESCC(=O)O[C@@]1(c2ccccc2)CCN(C)CC1(C)C
InChIInChI=1S/C16H23NO2/c1-13(18)19-16(14-8-6-5-7-9-14)10-11-17(4)12-15(16,2)3/h5-9H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyPKHXKOWXJNZTIG-MRXNPFEDSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
CID 21120815
(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-ol
CID 766368
(1-phenylcyclopropyl) acetate
CID 121216912
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
[(3R,5S)-1,5-dimethyl-3-phenylpiperidin-3-yl] acetate
CID 684754
[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
CID 46900703
(1,5-dimethyl-3-phenylpiperidin-3-yl) acetate;hydrochloride
CID 126478160
(4-benzoyl-1-methyl-3-phenylpiperidin-4-yl) acetate
CID 154100404
[(4R,4aR,8aS)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl] acetate
CID 6543773
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
CID 21125426
(4-ethoxy-3-methyl-2-oxo-1-phenylcyclohex-3-en-1-yl) acetate
CID 11403494

Frequently Asked Questions

What is the IUPAC name of [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate?
The IUPAC name of [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate (CID 708780) is [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate.
What is the SMILES notation for [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate?
The canonical SMILES for [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate is CC(=O)O[C@@]1(c2ccccc2)CCN(C)CC1(C)C.
What is the InChIKey of [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate?
The InChIKey is PKHXKOWXJNZTIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(18)19-16(14-8-6-5-7-9-14)10-11-17(4)12-15(16,2)3/h5-9H,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate?
[(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate has a molecular weight of 261.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1,3,3-trimethyl-4-phenylpiperidin-4-yl] acetate is sourced from PubChem (CID 708780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).