[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone

C19H21NO2 — CID 2802386

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeySXBIOBQXDNGBPV-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds3

About [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone

[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone (PubChem CID 2802386) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone
PubChem CID2802386
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeySXBIOBQXDNGBPV-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone (CID 2802386) is [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone is COc1ccccc1C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is SXBIOBQXDNGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
[4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 295.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 2802386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).