7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

C18H20ClN3O — CID 46228438

IUPAC7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
InChIKeyHUUPVTVQRVHGPI-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.21
Rot. Bonds3

About 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 46228438) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID46228438
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESClc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21
InChIInChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
InChIKeyHUUPVTVQRVHGPI-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 46228438) is 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is Clc1ccccc1OC1CCc2ccc(N3CCNCC3)nc21.
What is the InChIKey of 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is HUUPVTVQRVHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2.
What are the key properties of 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 329.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 46228438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).