benzyl 2-(2-piperidin-4-yloxyphenyl)acetate

C20H23NO3 — CID 71586471

IUPACbenzyl 2-(2-piperidin-4-yloxyphenyl)acetate
SMILESO=C(Cc1ccccc1OC1CCNCC1)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-20(23-15-16-6-2-1-3-7-16)14-17-8-4-5-9-19(17)24-18-10-12-21-13-11-18/h1-9,18,21H,10-15H2
InChIKeyDZSDPKWZWNSOST-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.10
Rot. Bonds6

About benzyl 2-(2-piperidin-4-yloxyphenyl)acetate

benzyl 2-(2-piperidin-4-yloxyphenyl)acetate (PubChem CID 71586471) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-(2-piperidin-4-yloxyphenyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-piperidin-4-yloxyphenyl)acetate
PubChem CID71586471
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 2-(2-piperidin-4-yloxyphenyl)acetate
SMILESO=C(Cc1ccccc1OC1CCNCC1)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-20(23-15-16-6-2-1-3-7-16)14-17-8-4-5-9-19(17)24-18-10-12-21-13-11-18/h1-9,18,21H,10-15H2
InChIKeyDZSDPKWZWNSOST-UHFFFAOYSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-benzylphenoxy)pyrrolidine
CID 26192029
benzyl 2-(piperidin-4-ylamino)acetate
CID 19853378
benzyl 4-methoxy-2-piperidin-4-yloxybenzoate
CID 71586561
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl 2-[2-(3-bromopropoxy)phenyl]acetate
CID 22417251
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
piperidin-4-yl (2R)-2-amino-3-phenylpropanoate
CID 173188794
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
benzyl 2-(1H-indol-4-yl)acetate
CID 143599585
benzyl (2R,6S)-6-methylpiperidine-2-carboxylate
CID 788180
2-(2-piperidin-4-yloxynaphthalen-1-yl)acetic acid
CID 170886811

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-piperidin-4-yloxyphenyl)acetate?
The IUPAC name of benzyl 2-(2-piperidin-4-yloxyphenyl)acetate (CID 71586471) is benzyl 2-(2-piperidin-4-yloxyphenyl)acetate.
What is the SMILES notation for benzyl 2-(2-piperidin-4-yloxyphenyl)acetate?
The canonical SMILES for benzyl 2-(2-piperidin-4-yloxyphenyl)acetate is O=C(Cc1ccccc1OC1CCNCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-piperidin-4-yloxyphenyl)acetate?
The InChIKey is DZSDPKWZWNSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(23-15-16-6-2-1-3-7-16)14-17-8-4-5-9-19(17)24-18-10-12-21-13-11-18/h1-9,18,21H,10-15H2.
What are the key properties of benzyl 2-(2-piperidin-4-yloxyphenyl)acetate?
benzyl 2-(2-piperidin-4-yloxyphenyl)acetate has a molecular weight of 325.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-piperidin-4-yloxyphenyl)acetate is sourced from PubChem (CID 71586471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).