3-methyl-6-(piperidin-4-ylmethyl)quinoline

C16H20N2 — CID 116997415

IUPAC3-methyl-6-(piperidin-4-ylmethyl)quinoline
SMILESCc1cnc2ccc(CC3CCNCC3)cc2c1
InChIInChI=1S/C16H20N2/c1-12-8-15-10-14(2-3-16(15)18-11-12)9-13-4-6-17-7-5-13/h2-3,8,10-11,13,17H,4-7,9H2,1H3
InChIKeyABDLOIZQWXGRSV-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.09
Rot. Bonds2

About 3-methyl-6-(piperidin-4-ylmethyl)quinoline

3-methyl-6-(piperidin-4-ylmethyl)quinoline (PubChem CID 116997415) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-6-(piperidin-4-ylmethyl)quinoline.

Molecular Properties

Compound Name3-methyl-6-(piperidin-4-ylmethyl)quinoline
PubChem CID116997415
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-methyl-6-(piperidin-4-ylmethyl)quinoline
SMILESCc1cnc2ccc(CC3CCNCC3)cc2c1
InChIInChI=1S/C16H20N2/c1-12-8-15-10-14(2-3-16(15)18-11-12)9-13-4-6-17-7-5-13/h2-3,8,10-11,13,17H,4-7,9H2,1H3
InChIKeyABDLOIZQWXGRSV-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
5-(piperidin-4-ylmethyl)-2H-benzotriazole
CID 84784846
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
6-(azepan-4-ylmethyl)quinoline
CID 155906957
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332
4-(3-methylquinolin-6-yl)butan-2-amine
CID 116997396
trimethyl-[2-[4-(piperidin-4-ylmethyl)phenyl]ethynyl]silane
CID 154630620
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanol
CID 116997477

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)quinoline?
The IUPAC name of 3-methyl-6-(piperidin-4-ylmethyl)quinoline (CID 116997415) is 3-methyl-6-(piperidin-4-ylmethyl)quinoline.
What is the SMILES notation for 3-methyl-6-(piperidin-4-ylmethyl)quinoline?
The canonical SMILES for 3-methyl-6-(piperidin-4-ylmethyl)quinoline is Cc1cnc2ccc(CC3CCNCC3)cc2c1.
What is the InChIKey of 3-methyl-6-(piperidin-4-ylmethyl)quinoline?
The InChIKey is ABDLOIZQWXGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-8-15-10-14(2-3-16(15)18-11-12)9-13-4-6-17-7-5-13/h2-3,8,10-11,13,17H,4-7,9H2,1H3.
What are the key properties of 3-methyl-6-(piperidin-4-ylmethyl)quinoline?
3-methyl-6-(piperidin-4-ylmethyl)quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(piperidin-4-ylmethyl)quinoline is sourced from PubChem (CID 116997415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).