4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine

C22H27NO — CID 11220953

IUPAC4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
InChIKeyXIEPNNMDKPLLAY-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.33
Rot. Bonds4

About 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine

4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine (PubChem CID 11220953) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
PubChem CID11220953
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3CCc4ccccc4O3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
InChIKeyXIEPNNMDKPLLAY-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine (CID 11220953) is 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine is c1ccc(CC2CCN(CC3CCc4ccccc4O3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine?
The InChIKey is XIEPNNMDKPLLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2.
What are the key properties of 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine?
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine has a molecular weight of 321.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine is sourced from PubChem (CID 11220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).