1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine

C24H35NO — CID 140578551

IUPAC1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine
SMILESc1ccc(C2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1
InChIInChI=1S/C24H35NO/c1-2-7-18(8-3-1)19-13-15-25(16-14-19)17-20-9-6-11-22-21-10-4-5-12-23(21)26-24(20)22/h1-3,7-8,19-24H,4-6,9-17H2
InChIKeyMPHYPBUSEVIAOY-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.24
Rot. Bonds3

About 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine

1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine (PubChem CID 140578551) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine
PubChem CID140578551
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine
SMILESc1ccc(C2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1
InChIInChI=1S/C24H35NO/c1-2-7-18(8-3-1)19-13-15-25(16-14-19)17-20-9-6-11-22-21-10-4-5-12-23(21)26-24(20)22/h1-3,7-8,19-24H,4-6,9-17H2
InChIKeyMPHYPBUSEVIAOY-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine?
The IUPAC name of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine (CID 140578551) is 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine.
What is the SMILES notation for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine?
The canonical SMILES for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine is c1ccc(C2CCN(CC3CCCC4C5CCCCC5OC34)CC2)cc1.
What is the InChIKey of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine?
The InChIKey is MPHYPBUSEVIAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-2-7-18(8-3-1)19-13-15-25(16-14-19)17-20-9-6-11-22-21-10-4-5-12-23(21)26-24(20)22/h1-3,7-8,19-24H,4-6,9-17H2.
What are the key properties of 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine?
1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine has a molecular weight of 353.55 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-4-ylmethyl)-4-phenylpiperidine is sourced from PubChem (CID 140578551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).