2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine

C17H23N3 — CID 83007197

IUPAC2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-13-6-3-7-14(2)20(13)19-12-16-9-4-8-15-10-5-11-18-17(15)16/h4-5,8-11,13-14,19H,3,6-7,12H2,1-2H3
InChIKeyQUMSMHCARPDTLA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.50
Rot. Bonds3

About 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine

2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine (PubChem CID 83007197) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
PubChem CID83007197
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine
SMILESCC1CCCC(C)N1NCc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-13-6-3-7-14(2)20(13)19-12-16-9-4-8-15-10-5-11-18-17(15)16/h4-5,8-11,13-14,19H,3,6-7,12H2,1-2H3
InChIKeyQUMSMHCARPDTLA-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine (CID 83007197) is 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine is CC1CCCC(C)N1NCc1cccc2cccnc12.
What is the InChIKey of 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine?
The InChIKey is QUMSMHCARPDTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-6-3-7-14(2)20(13)19-12-16-9-4-8-15-10-5-11-18-17(15)16/h4-5,8-11,13-14,19H,3,6-7,12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine?
2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(quinolin-8-ylmethyl)piperidin-1-amine is sourced from PubChem (CID 83007197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).