6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline

C16H21N3 — CID 64833438

IUPAC6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C)CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C16H21N3/c1-16(2)12-19(9-8-18-16)11-13-5-6-15-14(10-13)4-3-7-17-15/h3-7,10,18H,8-9,11-12H2,1-2H3
InChIKeyQWTSRBCSLHJSPE-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.42
Rot. Bonds2

About 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline

6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline (PubChem CID 64833438) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
PubChem CID64833438
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCC1(C)CN(Cc2ccc3ncccc3c2)CCN1
InChIInChI=1S/C16H21N3/c1-16(2)12-19(9-8-18-16)11-13-5-6-15-14(10-13)4-3-7-17-15/h3-7,10,18H,8-9,11-12H2,1-2H3
InChIKeyQWTSRBCSLHJSPE-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

6-Methylquinoline
CID 7059
Latrepirdine
CID 197033
4-Methylquinoline
CID 10285
Pirlindole
CID 68802
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
3-Methylquinoline
CID 11926
Pyrazidole
CID 115141
6-Aminoquinoline
CID 11373
8-Aminoquinoline
CID 11359

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline (CID 64833438) is 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline is CC1(C)CN(Cc2ccc3ncccc3c2)CCN1.
What is the InChIKey of 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
The InChIKey is QWTSRBCSLHJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)12-19(9-8-18-16)11-13-5-6-15-14(10-13)4-3-7-17-15/h3-7,10,18H,8-9,11-12H2,1-2H3.
What are the key properties of 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline?
6-[(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 6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64833438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).