2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline

C20H28N4 — CID 78083577

IUPAC2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline
SMILESCCC1CNNC1C1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H28N4/c1-2-15-13-21-23-20(15)17-9-11-24(12-10-17)14-18-8-7-16-5-3-4-6-19(16)22-18/h3-8,15,17,20-21,23H,2,9-14H2,1H3
InChIKeyFZAHNQFSCBNKBN-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.95
Rot. Bonds4

About 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline

2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 78083577) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline
PubChem CID78083577
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline
SMILESCCC1CNNC1C1CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H28N4/c1-2-15-13-21-23-20(15)17-9-11-24(12-10-17)14-18-8-7-16-5-3-4-6-19(16)22-18/h3-8,15,17,20-21,23H,2,9-14H2,1H3
InChIKeyFZAHNQFSCBNKBN-UHFFFAOYSA-N
XLogP2.95
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline (CID 78083577) is 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline is CCC1CNNC1C1CCN(Cc2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is FZAHNQFSCBNKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-2-15-13-21-23-20(15)17-9-11-24(12-10-17)14-18-8-7-16-5-3-4-6-19(16)22-18/h3-8,15,17,20-21,23H,2,9-14H2,1H3.
What are the key properties of 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline?
2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 324.47 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 78083577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).