1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone

C21H25NO3 — CID 740892

IUPAC1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3/c1-24-19-7-9-20(10-8-19)25-16-21(23)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKeyVILSSLWYZWMRKR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 740892) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID740892
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO3/c1-24-19-7-9-20(10-8-19)25-16-21(23)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKeyVILSSLWYZWMRKR-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-(4-benzylpiperidin-1-yl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238340
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
CID 139677549
3-[1-[2-(4-methoxyphenoxy)acetyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42160228
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (CID 740892) is 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is VILSSLWYZWMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-19-7-9-20(10-8-19)25-16-21(23)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 740892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).