tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride

C17H26ClNO2 — CID 117066829

IUPACtert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
SMILESCC(C)(C)OC(=O)C(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-17(2,3)20-16(19)15(14-10-6-4-7-11-14)18-12-8-5-9-13-18;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H
InChIKeyJZCCQPKDQNTJTG-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride

tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride (PubChem CID 117066829) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
PubChem CID117066829
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Nametert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
SMILESCC(C)(C)OC(=O)C(c1ccccc1)N1CCCCC1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-17(2,3)20-16(19)15(14-10-6-4-7-11-14)18-12-8-5-9-13-18;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H
InChIKeyJZCCQPKDQNTJTG-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
3-methylpent-1-yn-3-yl 2-phenyl-2-piperidin-1-ylacetate
CID 24842516
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(1R)-3,3-dimethyl-1-phenyl-1-pyrrolidin-1-ylbutan-2-one
CID 59470882
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
tert-butyl 3-oxo-3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 70409759
CID 162410126
CID 162410126
tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
CID 75511205
[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 71616197

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride?
The IUPAC name of tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride (CID 117066829) is tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride?
The canonical SMILES for tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride is CC(C)(C)OC(=O)C(c1ccccc1)N1CCCCC1.Cl.
What is the InChIKey of tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride?
The InChIKey is JZCCQPKDQNTJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-17(2,3)20-16(19)15(14-10-6-4-7-11-14)18-12-8-5-9-13-18;/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3;1H.
What are the key properties of tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride?
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride is sourced from PubChem (CID 117066829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).