5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline

C17H22N2 — CID 84635397

IUPAC5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
SMILESCc1cc(C)c2cc(CC3CCCNC3)cnc2c1
InChIInChI=1S/C17H22N2/c1-12-6-13(2)16-9-15(11-19-17(16)7-12)8-14-4-3-5-18-10-14/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyXWEYLBDGJNNMGI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.39
Rot. Bonds2

About 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline

5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline (PubChem CID 84635397) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline.

Molecular Properties

Compound Name5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
PubChem CID84635397
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
SMILESCc1cc(C)c2cc(CC3CCCNC3)cnc2c1
InChIInChI=1S/C17H22N2/c1-12-6-13(2)16-9-15(11-19-17(16)7-12)8-14-4-3-5-18-10-14/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyXWEYLBDGJNNMGI-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
8-bromo-3-(piperidin-3-ylmethyl)quinoline
CID 84644812

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline?
The IUPAC name of 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline (CID 84635397) is 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline.
What is the SMILES notation for 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline?
The canonical SMILES for 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline is Cc1cc(C)c2cc(CC3CCCNC3)cnc2c1.
What is the InChIKey of 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline?
The InChIKey is XWEYLBDGJNNMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-13(2)16-9-15(11-19-17(16)7-12)8-14-4-3-5-18-10-14/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline?
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline has a molecular weight of 254.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline is sourced from PubChem (CID 84635397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).