5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 81214740

IUPAC5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C16H24N2/c1-16(2)8-11-18(12-9-16)15-7-3-6-14-13(15)5-4-10-17-14/h3,6-7,17H,4-5,8-12H2,1-2H3
InChIKeyMTUIOHFZTCHVTP-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.67
Rot. Bonds1

About 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81214740) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81214740
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1(C)CCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C16H24N2/c1-16(2)8-11-18(12-9-16)15-7-3-6-14-13(15)5-4-10-17-14/h3,6-7,17H,4-5,8-12H2,1-2H3
InChIKeyMTUIOHFZTCHVTP-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81214740) is 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC1(C)CCN(c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MTUIOHFZTCHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2)8-11-18(12-9-16)15-7-3-6-14-13(15)5-4-10-17-14/h3,6-7,17H,4-5,8-12H2,1-2H3.
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81214740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).