ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate

C18H27NO2 — CID 106677310

IUPACethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
SMILESCCOC(=O)C(c1ccccc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-4-21-18(20)17(16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyPPXNHRPSGOJXAP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.66
Rot. Bonds5

About ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate

ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate (PubChem CID 106677310) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
PubChem CID106677310
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
SMILESCCOC(=O)C(c1ccccc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H27NO2/c1-4-21-18(20)17(16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyPPXNHRPSGOJXAP-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
CID 124740002
ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
CID 135312522
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate (CID 106677310) is ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate is CCOC(=O)C(c1ccccc1)N1CCC(C(C)C)CC1.
What is the InChIKey of ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate?
The InChIKey is PPXNHRPSGOJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-21-18(20)17(16-8-6-5-7-9-16)19-12-10-15(11-13-19)14(2)3/h5-9,14-15,17H,4,10-13H2,1-3H3.
What are the key properties of ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate?
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate has a molecular weight of 289.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 106677310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).