2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone

C26H36N2O — CID 44588348

IUPAC2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone
SMILESCCCN(CCC)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3
InChIKeyNLDOPIPRAHLISM-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.53
Rot. Bonds9

About 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone

2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone (PubChem CID 44588348) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone
PubChem CID44588348
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone
SMILESCCCN(CCC)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3
InChIKeyNLDOPIPRAHLISM-UHFFFAOYSA-N
XLogP5.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone (CID 44588348) is 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone is CCCN(CCC)Cc1ccc(-c2ccc(CC(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone?
The InChIKey is NLDOPIPRAHLISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-3-16-27(17-4-2)21-23-10-14-25(15-11-23)24-12-8-22(9-13-24)20-26(29)28-18-6-5-7-19-28/h8-15H,3-7,16-21H2,1-2H3.
What are the key properties of 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone?
2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone has a molecular weight of 392.59 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 44588348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).