(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate

C23H29NO2 — CID 59600654

IUPAC(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
SMILESCCCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-3-15-24-16-13-21(14-17-24)26-23(25)18-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,2-3,13-18H2,1H3
InChIKeyLWTPQEMVGNNQMI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.70
Rot. Bonds7

About (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate

(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate (PubChem CID 59600654) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
PubChem CID59600654
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
SMILESCCCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-3-15-24-16-13-21(14-17-24)26-23(25)18-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,2-3,13-18H2,1H3
InChIKeyLWTPQEMVGNNQMI-UHFFFAOYSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 160928471
[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 58514272
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
1-[[4-[methyl-[2-[4-[2-(2-phenylphenyl)acetyl]oxypiperidin-1-yl]ethyl]carbamoyl]phenyl]methyl]piperidine-4-carboxylic acid
CID 58201590
[1-[2-[methyl-[6-[N-methyl-4-[2-[methyl-[3-[methyl(propanoyl)amino]propyl]amino]-2-oxoethyl]anilino]hexanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 161033179
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[2-[7-[4-[4-[(2-methoxyacetyl)-methylamino]butyl-methylcarbamoyl]phenyl]heptanoyl-methylamino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 159239128
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436

Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate?
The IUPAC name of (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate (CID 59600654) is (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate.
What is the SMILES notation for (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate?
The canonical SMILES for (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate is CCCCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate?
The InChIKey is LWTPQEMVGNNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-3-15-24-16-13-21(14-17-24)26-23(25)18-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,2-3,13-18H2,1H3.
What are the key properties of (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate?
(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate has a molecular weight of 351.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate is sourced from PubChem (CID 59600654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).