1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine

C22H27NO — CID 23210055

IUPAC1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine
SMILESc1ccc(C2CCN(CCC3OCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)19-10-14-23(15-11-19)16-12-22-21-9-5-4-8-20(21)13-17-24-22/h1-9,19,22H,10-17H2
InChIKeyMJGWYWCQTPTHLL-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine

1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine (PubChem CID 23210055) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine
PubChem CID23210055
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine
SMILESc1ccc(C2CCN(CCC3OCCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H27NO/c1-2-6-18(7-3-1)19-10-14-23(15-11-19)16-12-22-21-9-5-4-8-20(21)13-17-24-22/h1-9,19,22H,10-17H2
InChIKeyMJGWYWCQTPTHLL-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine (CID 23210055) is 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine is c1ccc(C2CCN(CCC3OCCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine?
The InChIKey is MJGWYWCQTPTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-6-18(7-3-1)19-10-14-23(15-11-19)16-12-22-21-9-5-4-8-20(21)13-17-24-22/h1-9,19,22H,10-17H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine?
1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine has a molecular weight of 321.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine is sourced from PubChem (CID 23210055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).