3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline

C16H20N2 — CID 169113739

IUPAC3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
SMILESCc1cnc2cc([C@H]3CC[C@H](C)CN3)ccc2c1
InChIInChI=1S/C16H20N2/c1-11-3-6-15(17-9-11)14-5-4-13-7-12(2)10-18-16(13)8-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3/t11-,15+/m0/s1
InChIKeyXZJQHAJANSSKSV-XHDPSFHLSA-N
MW240.35 g/mol
LogP3.60
Rot. Bonds1

About 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline

3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline (PubChem CID 169113739) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline.

Molecular Properties

Compound Name3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
PubChem CID169113739
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
SMILESCc1cnc2cc([C@H]3CC[C@H](C)CN3)ccc2c1
InChIInChI=1S/C16H20N2/c1-11-3-6-15(17-9-11)14-5-4-13-7-12(2)10-18-16(13)8-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3/t11-,15+/m0/s1
InChIKeyXZJQHAJANSSKSV-XHDPSFHLSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline?
The IUPAC name of 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline (CID 169113739) is 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline.
What is the SMILES notation for 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline?
The canonical SMILES for 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline is Cc1cnc2cc([C@H]3CC[C@H](C)CN3)ccc2c1.
What is the InChIKey of 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline?
The InChIKey is XZJQHAJANSSKSV-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-3-6-15(17-9-11)14-5-4-13-7-12(2)10-18-16(13)8-14/h4-5,7-8,10-11,15,17H,3,6,9H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline?
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline is sourced from PubChem (CID 169113739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).