1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol

C18H21NO — CID 105112552

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CCc2cccnc21
InChIInChI=1S/C18H21NO/c20-17(10-4-8-14-6-2-1-3-7-14)16-12-11-15-9-5-13-19-18(15)16/h1-3,5-7,9,13,16-17,20H,4,8,10-12H2
InChIKeyZOTUIEYRDUFMGN-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.50
Rot. Bonds5

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol (PubChem CID 105112552) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
PubChem CID105112552
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CCc2cccnc21
InChIInChI=1S/C18H21NO/c20-17(10-4-8-14-6-2-1-3-7-14)16-12-11-15-9-5-13-19-18(15)16/h1-3,5-7,9,13,16-17,20H,4,8,10-12H2
InChIKeyZOTUIEYRDUFMGN-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol (CID 105112552) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol?
The InChIKey is ZOTUIEYRDUFMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-17(10-4-8-14-6-2-1-3-7-14)16-12-11-15-9-5-13-19-18(15)16/h1-3,5-7,9,13,16-17,20H,4,8,10-12H2.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 105112552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).