[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone

C25H32N2O2 — CID 91906245

IUPAC[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-7-9-22(10-8-20)25(28)27-17-13-24(14-18-27)29-23-11-15-26(16-12-23)19-21-5-3-2-4-6-21/h2-10,23-24H,11-19H2,1H3
InChIKeyVRSQNGTUDGWTPG-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.28
Rot. Bonds5

About [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone

[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 91906245) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID91906245
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-7-9-22(10-8-20)25(28)27-17-13-24(14-18-27)29-23-11-15-26(16-12-23)19-21-5-3-2-4-6-21/h2-10,23-24H,11-19H2,1H3
InChIKeyVRSQNGTUDGWTPG-UHFFFAOYSA-N
XLogP4.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone (CID 91906245) is [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(OC3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is VRSQNGTUDGWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20-7-9-22(10-8-20)25(28)27-17-13-24(14-18-27)29-23-11-15-26(16-12-23)19-21-5-3-2-4-6-21/h2-10,23-24H,11-19H2,1H3.
What are the key properties of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone?
[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 392.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 91906245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).