3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline

C19H20N4 — CID 3563133

IUPAC3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
SMILESc1cncc(C(c2cnc3ccccc3c2)N2CCNCC2)c1
InChIInChI=1S/C19H20N4/c1-2-6-18-15(4-1)12-17(14-22-18)19(16-5-3-7-21-13-16)23-10-8-20-9-11-23/h1-7,12-14,19-20H,8-11H2
InChIKeyAJUITVSANGJOMX-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.62
Rot. Bonds3

About 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline

3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline (PubChem CID 3563133) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
PubChem CID3563133
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
SMILESc1cncc(C(c2cnc3ccccc3c2)N2CCNCC2)c1
InChIInChI=1S/C19H20N4/c1-2-6-18-15(4-1)12-17(14-22-18)19(16-5-3-7-21-13-16)23-10-8-20-9-11-23/h1-7,12-14,19-20H,8-11H2
InChIKeyAJUITVSANGJOMX-UHFFFAOYSA-N
XLogP2.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)-piperazin-1-ylmethyl]quinoline
CID 3951791
3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
3-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]quinoline
CID 3845294
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
3-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 3978003
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
3-[(2,3-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3831129
3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4682251
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3809399
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169

Frequently Asked Questions

What is the IUPAC name of 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline?
The IUPAC name of 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline (CID 3563133) is 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline.
What is the SMILES notation for 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline?
The canonical SMILES for 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline is c1cncc(C(c2cnc3ccccc3c2)N2CCNCC2)c1.
What is the InChIKey of 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline?
The InChIKey is AJUITVSANGJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-6-18-15(4-1)12-17(14-22-18)19(16-5-3-7-21-13-16)23-10-8-20-9-11-23/h1-7,12-14,19-20H,8-11H2.
What are the key properties of 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline?
3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline has a molecular weight of 304.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline is sourced from PubChem (CID 3563133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).