[4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone

C19H21NO2 — CID 53324279

IUPAC[4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO2/c1-22-18-9-5-8-17(14-18)15-10-12-20(13-11-15)19(21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyUCCBUPVLEHUAOI-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.71
Rot. Bonds3

About [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone

[4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone (PubChem CID 53324279) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone
PubChem CID53324279
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H21NO2/c1-22-18-9-5-8-17(14-18)15-10-12-20(13-11-15)19(21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyUCCBUPVLEHUAOI-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-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone (CID 53324279) is [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone is COc1cccc(C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is UCCBUPVLEHUAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-9-5-8-17(14-18)15-10-12-20(13-11-15)19(21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone?
[4-(3-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-(3-methoxyphenyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 53324279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).