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

C23H27NO — CID 10042466

IUPAC2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C23H27NO/c1-17-6-8-18(9-7-17)16-24-14-12-20(13-15-24)22-11-10-19-4-2-3-5-21(19)23(22)25/h2-9,20,22H,10-16H2,1H3
InChIKeyUDLOEFIJNKLNAS-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.65
Rot. Bonds3

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

2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10042466) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10042466
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C23H27NO/c1-17-6-8-18(9-7-17)16-24-14-12-20(13-15-24)22-11-10-19-4-2-3-5-21(19)23(22)25/h2-9,20,22H,10-16H2,1H3
InChIKeyUDLOEFIJNKLNAS-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one (CID 10042466) is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc(CN2CCC(C3CCc4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UDLOEFIJNKLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-17-6-8-18(9-7-17)16-24-14-12-20(13-15-24)22-11-10-19-4-2-3-5-21(19)23(22)25/h2-9,20,22H,10-16H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one?
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 333.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10042466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).