8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline

C16H21N3 — CID 64832242

IUPAC8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C)CN(Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C16H21N3/c1-16(2)12-19(10-9-18-16)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,18H,9-12H2,1-2H3
InChIKeyFMBDWOSESXUJSW-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.42
Rot. Bonds2

About 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline

8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline (PubChem CID 64832242) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
PubChem CID64832242
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C)CN(Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C16H21N3/c1-16(2)12-19(10-9-18-16)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,18H,9-12H2,1-2H3
InChIKeyFMBDWOSESXUJSW-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
2-[(3,3-dimethylpiperazin-1-yl)methyl]pyrimidine
CID 64831656
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 82745597
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359

Frequently Asked Questions

What is the IUPAC name of 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline (CID 64832242) is 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline is CC1(C)CN(Cc2cccc3cccnc23)CCN1.
What is the InChIKey of 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The InChIKey is FMBDWOSESXUJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)12-19(10-9-18-16)11-14-6-3-5-13-7-4-8-17-15(13)14/h3-8,18H,9-12H2,1-2H3.
What are the key properties of 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64832242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).