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

C16H23NO3 — CID 60776032

IUPAC[4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone
SMILESCCOCCOC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-19-12-13-20-15-8-10-17(11-9-15)16(18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyBKPANXXWASKEGP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.34
Rot. Bonds6

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

[4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone (PubChem CID 60776032) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone
PubChem CID60776032
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone
SMILESCCOCCOC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-2-19-12-13-20-15-8-10-17(11-9-15)16(18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyBKPANXXWASKEGP-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone (CID 60776032) is [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone is CCOCCOC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone?
The InChIKey is BKPANXXWASKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-12-13-20-15-8-10-17(11-9-15)16(18)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone?
[4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone has a molecular weight of 277.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 60776032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).