propan-2-yl 2-phenyl-2-piperidin-1-ylacetate

C16H23NO2 — CID 85412876

IUPACpropan-2-yl 2-phenyl-2-piperidin-1-ylacetate
SMILESCC(C)OC(=O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(2)19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyDJYKCVGHGMMIJY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds4

About propan-2-yl 2-phenyl-2-piperidin-1-ylacetate

propan-2-yl 2-phenyl-2-piperidin-1-ylacetate (PubChem CID 85412876) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is propan-2-yl 2-phenyl-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-phenyl-2-piperidin-1-ylacetate
PubChem CID85412876
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namepropan-2-yl 2-phenyl-2-piperidin-1-ylacetate
SMILESCC(C)OC(=O)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(2)19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyDJYKCVGHGMMIJY-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
3-methylpent-1-yn-3-yl 2-phenyl-2-piperidin-1-ylacetate
CID 24842516
(1R)-3,3-dimethyl-1-phenyl-1-pyrrolidin-1-ylbutan-2-one
CID 59470882
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
2-(azepan-1-yl)-2-phenylethanethioamide
CID 84758024
2-piperidin-1-yl-2-(4-propan-2-ylphenyl)acetamide
CID 82121488

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenyl-2-piperidin-1-ylacetate?
The IUPAC name of propan-2-yl 2-phenyl-2-piperidin-1-ylacetate (CID 85412876) is propan-2-yl 2-phenyl-2-piperidin-1-ylacetate.
What is the SMILES notation for propan-2-yl 2-phenyl-2-piperidin-1-ylacetate?
The canonical SMILES for propan-2-yl 2-phenyl-2-piperidin-1-ylacetate is CC(C)OC(=O)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of propan-2-yl 2-phenyl-2-piperidin-1-ylacetate?
The InChIKey is DJYKCVGHGMMIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)19-16(18)15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3.
What are the key properties of propan-2-yl 2-phenyl-2-piperidin-1-ylacetate?
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate has a molecular weight of 261.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenyl-2-piperidin-1-ylacetate is sourced from PubChem (CID 85412876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).