(1-benzylpiperidin-4-yl) 2-methylbenzoate

C20H23NO2 — CID 18919792

IUPAC(1-benzylpiperidin-4-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-19(16)20(22)23-18-11-13-21(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3
InChIKeyGDNXDNVQWZGEMK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.82
Rot. Bonds4

About (1-benzylpiperidin-4-yl) 2-methylbenzoate

(1-benzylpiperidin-4-yl) 2-methylbenzoate (PubChem CID 18919792) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) 2-methylbenzoate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) 2-methylbenzoate
PubChem CID18919792
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(1-benzylpiperidin-4-yl) 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c1-16-7-5-6-10-19(16)20(22)23-18-11-13-21(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3
InChIKeyGDNXDNVQWZGEMK-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
(1-benzylpiperidin-4-yl) 3-iodobenzoate;hydrochloride
CID 18919861
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 110284786
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
(1-benzylpiperidin-4-yl) 1,10-dimethylpyrrolo[3,2-b]carbazole-2-carboxylate
CID 19367653
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
[(3S)-1-methylpiperidin-3-yl] 2-methylbenzoate
CID 805331
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
(1-benzylpiperidin-4-yl) 5-nitropyridine-2-carboxylate
CID 18919766

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) 2-methylbenzoate?
The IUPAC name of (1-benzylpiperidin-4-yl) 2-methylbenzoate (CID 18919792) is (1-benzylpiperidin-4-yl) 2-methylbenzoate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) 2-methylbenzoate?
The canonical SMILES for (1-benzylpiperidin-4-yl) 2-methylbenzoate is Cc1ccccc1C(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) 2-methylbenzoate?
The InChIKey is GDNXDNVQWZGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16-7-5-6-10-19(16)20(22)23-18-11-13-21(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl) 2-methylbenzoate?
(1-benzylpiperidin-4-yl) 2-methylbenzoate has a molecular weight of 309.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) 2-methylbenzoate is sourced from PubChem (CID 18919792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).