3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline

C17H22N2 — CID 91331683

IUPAC3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline
SMILESCc1cc2ccccc2nc1CN1CCC(C)CC1
InChIInChI=1S/C17H22N2/c1-13-7-9-19(10-8-13)12-17-14(2)11-15-5-3-4-6-16(15)18-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZFWKLUPPALIKGB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.78
Rot. Bonds2

About 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline

3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline (PubChem CID 91331683) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline
PubChem CID91331683
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline
SMILESCc1cc2ccccc2nc1CN1CCC(C)CC1
InChIInChI=1S/C17H22N2/c1-13-7-9-19(10-8-13)12-17-14(2)11-15-5-3-4-6-16(15)18-17/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZFWKLUPPALIKGB-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline (CID 91331683) is 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline is Cc1cc2ccccc2nc1CN1CCC(C)CC1.
What is the InChIKey of 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline?
The InChIKey is ZFWKLUPPALIKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-9-19(10-8-13)12-17-14(2)11-15-5-3-4-6-16(15)18-17/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline?
3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline has a molecular weight of 254.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 91331683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).