2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane

C16H30N2 — CID 167091118

IUPAC2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H30N2/c1-14-11-16(12-14)5-9-18(10-6-16)13-15-3-7-17(2)8-4-15/h14-15H,3-13H2,1-2H3
InChIKeyROASTRVKKKPFIT-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.84
Rot. Bonds2

About 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane

2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 167091118) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
PubChem CID167091118
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCC1CC2(CCN(CC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C16H30N2/c1-14-11-16(12-14)5-9-18(10-6-16)13-15-3-7-17(2)8-4-15/h14-15H,3-13H2,1-2H3
InChIKeyROASTRVKKKPFIT-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane (CID 167091118) is 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane is CC1CC2(CCN(CC3CCN(C)CC3)CC2)C1.
What is the InChIKey of 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is ROASTRVKKKPFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14-11-16(12-14)5-9-18(10-6-16)13-15-3-7-17(2)8-4-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane?
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 250.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 167091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).