4-(4-ethylpiperidin-1-yl)-2-phenylquinoline

C22H24N2 — CID 91081201

IUPAC4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H24N2/c1-2-17-12-14-24(15-13-17)22-16-21(18-8-4-3-5-9-18)23-20-11-7-6-10-19(20)22/h3-11,16-17H,2,12-15H2,1H3
InChIKeyPQAZUJXRJUUFHH-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds3

About 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline

4-(4-ethylpiperidin-1-yl)-2-phenylquinoline (PubChem CID 91081201) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
PubChem CID91081201
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H24N2/c1-2-17-12-14-24(15-13-17)22-16-21(18-8-4-3-5-9-18)23-20-11-7-6-10-19(20)22/h3-11,16-17H,2,12-15H2,1H3
InChIKeyPQAZUJXRJUUFHH-UHFFFAOYSA-N
XLogP5.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline (CID 91081201) is 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline is CCC1CCN(c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline?
The InChIKey is PQAZUJXRJUUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-17-12-14-24(15-13-17)22-16-21(18-8-4-3-5-9-18)23-20-11-7-6-10-19(20)22/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline?
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline has a molecular weight of 316.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-2-phenylquinoline is sourced from PubChem (CID 91081201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).