2-piperazin-1-yl-6-propan-2-ylquinoline

C16H21N3 — CID 82166087

IUPAC2-piperazin-1-yl-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C16H21N3/c1-12(2)13-3-5-15-14(11-13)4-6-16(18-15)19-9-7-17-8-10-19/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyDZCBJENQTSGQSG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.77
Rot. Bonds2

About 2-piperazin-1-yl-6-propan-2-ylquinoline

2-piperazin-1-yl-6-propan-2-ylquinoline (PubChem CID 82166087) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-propan-2-ylquinoline.

Molecular Properties

Compound Name2-piperazin-1-yl-6-propan-2-ylquinoline
PubChem CID82166087
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-piperazin-1-yl-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(N3CCNCC3)ccc2c1
InChIInChI=1S/C16H21N3/c1-12(2)13-3-5-15-14(11-13)4-6-16(18-15)19-9-7-17-8-10-19/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyDZCBJENQTSGQSG-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethoxy-2-piperazin-1-ylquinoline
CID 82166097
2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
CID 166442505
N'-(4-chlorophenyl)-2-piperazin-1-ylquinoline-6-carboximidamide
CID 59789927
6-chloro-2-(4-propan-2-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68859336
1-(2-tert-butyl-4-propan-2-ylphenyl)piperazine
CID 173108524
N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
CID 138530542
2-[4-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-6-propan-2-ylquinoline
CID 91498255
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
CID 105379243
bis((Z)-but-2-enedioic acid);2-piperazin-1-ylquinoline
CID 6420043
(E)-but-2-enedioic acid;2-piperazin-1-ylquinoline
CID 6507948
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-propan-2-ylquinoline?
The IUPAC name of 2-piperazin-1-yl-6-propan-2-ylquinoline (CID 82166087) is 2-piperazin-1-yl-6-propan-2-ylquinoline.
What is the SMILES notation for 2-piperazin-1-yl-6-propan-2-ylquinoline?
The canonical SMILES for 2-piperazin-1-yl-6-propan-2-ylquinoline is CC(C)c1ccc2nc(N3CCNCC3)ccc2c1.
What is the InChIKey of 2-piperazin-1-yl-6-propan-2-ylquinoline?
The InChIKey is DZCBJENQTSGQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)13-3-5-15-14(11-13)4-6-16(18-15)19-9-7-17-8-10-19/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 2-piperazin-1-yl-6-propan-2-ylquinoline?
2-piperazin-1-yl-6-propan-2-ylquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-propan-2-ylquinoline is sourced from PubChem (CID 82166087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).