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

C22H25NO — CID 46889409

IUPAC2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25NO/c24-22-19(11-10-18-6-4-5-9-21(18)22)16-17-12-14-23(15-13-17)20-7-2-1-3-8-20/h1-9,17,19H,10-16H2
InChIKeyPTCACPKCJXNQCA-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.74
Rot. Bonds3

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

2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 46889409) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID46889409
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H25NO/c24-22-19(11-10-18-6-4-5-9-21(18)22)16-17-12-14-23(15-13-17)20-7-2-1-3-8-20/h1-9,17,19H,10-16H2
InChIKeyPTCACPKCJXNQCA-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 46889409) is 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PTCACPKCJXNQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-22-19(11-10-18-6-4-5-9-21(18)22)16-17-12-14-23(15-13-17)20-7-2-1-3-8-20/h1-9,17,19H,10-16H2.
What are the key properties of 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 319.45 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 46889409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).