3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

C23H27NO — CID 11406043

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
InChIKeyRCLSGLJLLLRQJL-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.39
Rot. Bonds4

About 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one

3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11406043) has the molecular formula C23H27NO and a molecular weight of 333.47 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11406043
Molecular FormulaC23H27NO
Molecular Weight333.47 g/mol
Exact Mass333.21
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc21
InChIInChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
InChIKeyRCLSGLJLLLRQJL-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 11406043) is 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc21.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RCLSGLJLLLRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 333.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11406043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).