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

C16H23NO2 — CID 175296413

IUPAC(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(18)19-13-9-10-17-14(11-13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3
InChIKeyNFANOMYXEOIDSU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.07
Rot. Bonds2

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

(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate (PubChem CID 175296413) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
PubChem CID175296413
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(18)19-13-9-10-17-14(11-13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3
InChIKeyNFANOMYXEOIDSU-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate (CID 175296413) is (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCNC(c2ccccc2)C1.
What is the InChIKey of (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
The InChIKey is NFANOMYXEOIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)15(18)19-13-9-10-17-14(11-13)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3.
What are the key properties of (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate?
(2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpiperidin-4-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 175296413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).