4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine

C17H21NO — CID 88788850

IUPAC4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
SMILESC1=CC2OC3=CCCCC3=C2C=C1C1CCNCC1
InChIInChI=1S/C17H21NO/c1-2-4-16-14(3-1)15-11-13(5-6-17(15)19-16)12-7-9-18-10-8-12/h4-6,11-12,17-18H,1-3,7-10H2
InChIKeyQKOMWQOCKDIRCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds1

About 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine

4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine (PubChem CID 88788850) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine.

Molecular Properties

Compound Name4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
PubChem CID88788850
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine
SMILESC1=CC2OC3=CCCCC3=C2C=C1C1CCNCC1
InChIInChI=1S/C17H21NO/c1-2-4-16-14(3-1)15-11-13(5-6-17(15)19-16)12-7-9-18-10-8-12/h4-6,11-12,17-18H,1-3,7-10H2
InChIKeyQKOMWQOCKDIRCK-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The IUPAC name of 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine (CID 88788850) is 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine.
What is the SMILES notation for 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The canonical SMILES for 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine is C1=CC2OC3=CCCCC3=C2C=C1C1CCNCC1.
What is the InChIKey of 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
The InChIKey is QKOMWQOCKDIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-4-16-14(3-1)15-11-13(5-6-17(15)19-16)12-7-9-18-10-8-12/h4-6,11-12,17-18H,1-3,7-10H2.
What are the key properties of 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine?
4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine has a molecular weight of 255.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4a,7,8,9-tetrahydrodibenzofuran-2-yl)piperidine is sourced from PubChem (CID 88788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).