(1-methylpiperidin-3-yl) 2-phenylacetate

C14H19NO2 — CID 86143291

IUPAC(1-methylpiperidin-3-yl) 2-phenylacetate
SMILESCN1CCCC(OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-9-5-8-13(11-15)17-14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyJFEVZLZTIGHYGA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About (1-methylpiperidin-3-yl) 2-phenylacetate

(1-methylpiperidin-3-yl) 2-phenylacetate (PubChem CID 86143291) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-phenylacetate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-phenylacetate
PubChem CID86143291
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(1-methylpiperidin-3-yl) 2-phenylacetate
SMILESCN1CCCC(OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-15-9-5-8-13(11-15)17-14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
InChIKeyJFEVZLZTIGHYGA-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
cyclopropyl 2-phenylacetate
CID 135066962
(1-methylpiperidin-3-yl) 2-(1,2-benzoxazol-3-yl)acetate
CID 13247709
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
bis[(3R)-1-methylpiperidin-3-yl] pentanedioate
CID 6363199
(1-methylpiperidin-3-yl) 2-hydroxy-2-phenylacetate
CID 118541578
[(3R)-1-methylpiperidin-3-yl] 2-chlorobenzoate
CID 806606
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
[(3S)-1-methylpiperidin-3-yl] 2-(4-bromophenoxy)acetate
CID 895719
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
CID 769252
(1-methylpiperidin-3-yl) 2-bromobenzoate
CID 4991215

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-phenylacetate?
The IUPAC name of (1-methylpiperidin-3-yl) 2-phenylacetate (CID 86143291) is (1-methylpiperidin-3-yl) 2-phenylacetate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-phenylacetate?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-phenylacetate is CN1CCCC(OC(=O)Cc2ccccc2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-phenylacetate?
The InChIKey is JFEVZLZTIGHYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-5-8-13(11-15)17-14(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl) 2-phenylacetate?
(1-methylpiperidin-3-yl) 2-phenylacetate has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-phenylacetate is sourced from PubChem (CID 86143291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).