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

C22H27NO — CID 11152527

IUPAC4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20/h1-9,19-20H,10-17H2
InChIKeySLJXLWDNADHNLA-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.19
Rot. Bonds4

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

4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine (PubChem CID 11152527) 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-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine
PubChem CID11152527
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine
SMILESc1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20/h1-9,19-20H,10-17H2
InChIKeySLJXLWDNADHNLA-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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-3-ylmethyl)piperidine?
The IUPAC name of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine (CID 11152527) is 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine is c1ccc(CC2CCN(CC3COc4ccccc4C3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine?
The InChIKey is SLJXLWDNADHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20/h1-9,19-20H,10-17H2.
What are the key properties of 4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine?
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine has a molecular weight of 321.46 g/mol, XLogP of 4.19, 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-3-ylmethyl)piperidine is sourced from PubChem (CID 11152527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).