8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline

C27H33N3O — CID 46870849

IUPAC8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
SMILESc1cnc2c(OC3CCN(CCc4ccc(CN5CCCC5)cc4)CC3)cccc2c1
InChIInChI=1S/C27H33N3O/c1-2-17-30(16-1)21-23-10-8-22(9-11-23)12-18-29-19-13-25(14-20-29)31-26-7-3-5-24-6-4-15-28-27(24)26/h3-11,15,25H,1-2,12-14,16-21H2
InChIKeyJDNPKDROQZKZSS-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.92
Rot. Bonds7

About 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline

8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline (PubChem CID 46870849) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
PubChem CID46870849
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
SMILESc1cnc2c(OC3CCN(CCc4ccc(CN5CCCC5)cc4)CC3)cccc2c1
InChIInChI=1S/C27H33N3O/c1-2-17-30(16-1)21-23-10-8-22(9-11-23)12-18-29-19-13-25(14-20-29)31-26-7-3-5-24-6-4-15-28-27(24)26/h3-11,15,25H,1-2,12-14,16-21H2
InChIKeyJDNPKDROQZKZSS-UHFFFAOYSA-N
XLogP4.92
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline?
The IUPAC name of 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline (CID 46870849) is 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline.
What is the SMILES notation for 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline?
The canonical SMILES for 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline is c1cnc2c(OC3CCN(CCc4ccc(CN5CCCC5)cc4)CC3)cccc2c1.
What is the InChIKey of 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline?
The InChIKey is JDNPKDROQZKZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-2-17-30(16-1)21-23-10-8-22(9-11-23)12-18-29-19-13-25(14-20-29)31-26-7-3-5-24-6-4-15-28-27(24)26/h3-11,15,25H,1-2,12-14,16-21H2.
What are the key properties of 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline?
8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline has a molecular weight of 415.58 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline is sourced from PubChem (CID 46870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).