8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline

C16H28N2 — CID 142291569

IUPAC8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline
SMILESCC1CCCCN1CC1CCC=C2CCCNC21
InChIInChI=1S/C16H28N2/c1-13-6-2-3-11-18(13)12-15-8-4-7-14-9-5-10-17-16(14)15/h7,13,15-17H,2-6,8-12H2,1H3
InChIKeyZCXJJKYYKHYVKZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.95
Rot. Bonds2

About 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline

8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline (PubChem CID 142291569) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline.

Molecular Properties

Compound Name8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline
PubChem CID142291569
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline
SMILESCC1CCCCN1CC1CCC=C2CCCNC21
InChIInChI=1S/C16H28N2/c1-13-6-2-3-11-18(13)12-15-8-4-7-14-9-5-10-17-16(14)15/h7,13,15-17H,2-6,8-12H2,1H3
InChIKeyZCXJJKYYKHYVKZ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline?
The IUPAC name of 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline (CID 142291569) is 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline.
What is the SMILES notation for 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline?
The canonical SMILES for 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline is CC1CCCCN1CC1CCC=C2CCCNC21.
What is the InChIKey of 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline?
The InChIKey is ZCXJJKYYKHYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-6-2-3-11-18(13)12-15-8-4-7-14-9-5-10-17-16(14)15/h7,13,15-17H,2-6,8-12H2,1H3.
What are the key properties of 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline?
8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline has a molecular weight of 248.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpiperidin-1-yl)methyl]-1,2,3,4,6,7,8,8a-octahydroquinoline is sourced from PubChem (CID 142291569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).