1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

C16H24N2 — CID 117363448

IUPAC1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C16H24N2/c1-18-9-3-5-15-7-6-13(11-16(15)18)10-14-4-2-8-17-12-14/h6-7,11,14,17H,2-5,8-10,12H2,1H3
InChIKeyXBZPXLGNYKXDDO-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.61
Rot. Bonds2

About 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline

1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 117363448) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID117363448
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(CC3CCCNC3)cc21
InChIInChI=1S/C16H24N2/c1-18-9-3-5-15-7-6-13(11-16(15)18)10-14-4-2-8-17-12-14/h6-7,11,14,17H,2-5,8-10,12H2,1H3
InChIKeyXBZPXLGNYKXDDO-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
2-methyl-1-[6-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260294
2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 82260273
4-methyl-6-(piperidin-3-ylmethyl)-3H-1,4-benzoxazin-2-one;hydrochloride
CID 68949647
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82260280
6-(piperidin-3-ylmethyl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 82340146
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
CID 117397213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline (CID 117363448) is 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is CN1CCCc2ccc(CC3CCCNC3)cc21.
What is the InChIKey of 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is XBZPXLGNYKXDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-9-3-5-15-7-6-13(11-16(15)18)10-14-4-2-8-17-12-14/h6-7,11,14,17H,2-5,8-10,12H2,1H3.
What are the key properties of 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline?
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 244.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 117363448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).