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

C24H29FN2O2 — CID 91916474

IUPAC[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H29FN2O2/c25-21-8-6-20(7-9-21)24(28)27-16-12-23(13-17-27)29-22-10-14-26(15-11-22)18-19-4-2-1-3-5-19/h1-9,22-23H,10-18H2
InChIKeyFUQPBZSMMQQTBB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.11
Rot. Bonds5

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

[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 91916474) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID91916474
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H29FN2O2/c25-21-8-6-20(7-9-21)24(28)27-16-12-23(13-17-27)29-22-10-14-26(15-11-22)18-19-4-2-1-3-5-19/h1-9,22-23H,10-18H2
InChIKeyFUQPBZSMMQQTBB-UHFFFAOYSA-N
XLogP4.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.11
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-fluorophenyl)methanone?
The IUPAC name of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone (CID 91916474) is [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is FUQPBZSMMQQTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-21-8-6-20(7-9-21)24(28)27-16-12-23(13-17-27)29-22-10-14-26(15-11-22)18-19-4-2-1-3-5-19/h1-9,22-23H,10-18H2.
What are the key properties of [4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(1-benzylpiperidin-4-yl)oxypiperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 396.51 g/mol, XLogP of 4.11, 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-fluorophenyl)methanone is sourced from PubChem (CID 91916474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).