5-(2-propan-2-ylpiperazin-1-yl)quinoline

C16H21N3 — CID 64937273

IUPAC5-(2-propan-2-ylpiperazin-1-yl)quinoline
SMILESCC(C)C1CNCCN1c1cccc2ncccc12
InChIInChI=1S/C16H21N3/c1-12(2)16-11-17-9-10-19(16)15-7-3-6-14-13(15)5-4-8-18-14/h3-8,12,16-17H,9-11H2,1-2H3
InChIKeyPJYGIAZJOGRXED-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.67
Rot. Bonds2

About 5-(2-propan-2-ylpiperazin-1-yl)quinoline

5-(2-propan-2-ylpiperazin-1-yl)quinoline (PubChem CID 64937273) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-(2-propan-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name5-(2-propan-2-ylpiperazin-1-yl)quinoline
PubChem CID64937273
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-(2-propan-2-ylpiperazin-1-yl)quinoline
SMILESCC(C)C1CNCCN1c1cccc2ncccc12
InChIInChI=1S/C16H21N3/c1-12(2)16-11-17-9-10-19(16)15-7-3-6-14-13(15)5-4-8-18-14/h3-8,12,16-17H,9-11H2,1-2H3
InChIKeyPJYGIAZJOGRXED-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperazin-1-ylquinoline
CID 10656226
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
2-(1-quinolin-4-ylpiperazin-2-yl)ethanol
CID 21424750
methyl 2-[(2R)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073007
5-(3,5-dimethylpiperazin-1-yl)quinoline
CID 81217174
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
5-pyrrolidin-1-ylquinoline
CID 118731129
5-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
CID 64933141
5-piperidin-1-ylquinoline
CID 12887802
4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline
CID 11474113

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 5-(2-propan-2-ylpiperazin-1-yl)quinoline (CID 64937273) is 5-(2-propan-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 5-(2-propan-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 5-(2-propan-2-ylpiperazin-1-yl)quinoline is CC(C)C1CNCCN1c1cccc2ncccc12.
What is the InChIKey of 5-(2-propan-2-ylpiperazin-1-yl)quinoline?
The InChIKey is PJYGIAZJOGRXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)16-11-17-9-10-19(16)15-7-3-6-14-13(15)5-4-8-18-14/h3-8,12,16-17H,9-11H2,1-2H3.
What are the key properties of 5-(2-propan-2-ylpiperazin-1-yl)quinoline?
5-(2-propan-2-ylpiperazin-1-yl)quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 64937273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).