(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate

C16H23NO2 — CID 174723851

IUPAC(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(18)19-14-9-11-17(12-10-14)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyNWLBLXKZZHMYRG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.24
Rot. Bonds2

About (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate

(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate (PubChem CID 174723851) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
PubChem CID174723851
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(18)19-14-9-11-17(12-10-14)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyNWLBLXKZZHMYRG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
4-tert-butyl-1-phenylpiperidine
CID 612454
[1-(4-methylsulfonylphenyl)piperidin-4-yl] acetate
CID 133451665
[1-(4-acetylphenyl)azepan-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10026713
[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174721533
(1-methanimidoylpiperidin-4-yl) 2,2-diphenylpropanoate
CID 15069076
lithium;(3S)-1-phenylpyrrolidin-3-ol;[(3S)-1-phenylpyrrolidin-3-yl] acetate;sulfane;hydroxide
CID 158883965
(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 175296413
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174897582
ethane;4-methyl-1-phenylpiperidine
CID 143180672
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165

Frequently Asked Questions

What is the IUPAC name of (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The IUPAC name of (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate (CID 174723851) is (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCN(c2ccccc2)CC1.
What is the InChIKey of (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The InChIKey is NWLBLXKZZHMYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)15(18)19-14-9-11-17(12-10-14)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174723851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).