4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine

C29H33NO — CID 19028738

IUPAC4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine
SMILESc1ccc(C2CCN(CCCC3(c4ccccc4)COCc4ccccc43)CC2)cc1
InChIInChI=1S/C29H33NO/c1-3-10-24(11-4-1)25-16-20-30(21-17-25)19-9-18-29(27-13-5-2-6-14-27)23-31-22-26-12-7-8-15-28(26)29/h1-8,10-15,25H,9,16-23H2
InChIKeyYECRONXAWFWBCC-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.16
Rot. Bonds6

About 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine

4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine (PubChem CID 19028738) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine
PubChem CID19028738
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine
SMILESc1ccc(C2CCN(CCCC3(c4ccccc4)COCc4ccccc43)CC2)cc1
InChIInChI=1S/C29H33NO/c1-3-10-24(11-4-1)25-16-20-30(21-17-25)19-9-18-29(27-13-5-2-6-14-27)23-31-22-26-12-7-8-15-28(26)29/h1-8,10-15,25H,9,16-23H2
InChIKeyYECRONXAWFWBCC-UHFFFAOYSA-N
XLogP6.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine?
The IUPAC name of 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine (CID 19028738) is 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine.
What is the SMILES notation for 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine?
The canonical SMILES for 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine is c1ccc(C2CCN(CCCC3(c4ccccc4)COCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine?
The InChIKey is YECRONXAWFWBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-3-10-24(11-4-1)25-16-20-30(21-17-25)19-9-18-29(27-13-5-2-6-14-27)23-31-22-26-12-7-8-15-28(26)29/h1-8,10-15,25H,9,16-23H2.
What are the key properties of 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine?
4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine has a molecular weight of 411.59 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine is sourced from PubChem (CID 19028738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).