7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C16H30N2O — CID 163122228

IUPAC7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC(CC2CCCC[NH+]2[O-])C2CCCNC2C1
InChIInChI=1S/C16H30N2O/c1-12-9-13(11-14-5-2-3-8-18(14)19)15-6-4-7-17-16(15)10-12/h12-18H,2-11H2,1H3
InChIKeyBXGXGDPHYIVNLH-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.73
Rot. Bonds2

About 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 163122228) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID163122228
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC(CC2CCCC[NH+]2[O-])C2CCCNC2C1
InChIInChI=1S/C16H30N2O/c1-12-9-13(11-14-5-2-3-8-18(14)19)15-6-4-7-17-16(15)10-12/h12-18H,2-11H2,1H3
InChIKeyBXGXGDPHYIVNLH-UHFFFAOYSA-N
XLogP1.73
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 163122228) is 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CC(CC2CCCC[NH+]2[O-])C2CCCNC2C1.
What is the InChIKey of 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is BXGXGDPHYIVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-9-13(11-14-5-2-3-8-18(14)19)15-6-4-7-17-16(15)10-12/h12-18H,2-11H2,1H3.
What are the key properties of 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 266.43 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 163122228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).