1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol

C17H33N3O — CID 156719939

IUPAC1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol
SMILESCN1CCC(CN2CC3(CCN3C3CCC3)C2)CC1.CO
InChIInChI=1S/C16H29N3.CH4O/c1-17-8-5-14(6-9-17)11-18-12-16(13-18)7-10-19(16)15-3-2-4-15;1-2/h14-15H,2-13H2,1H3;2H,1H3
InChIKeyXBXMRYHBHLRGIX-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.25
Rot. Bonds3

About 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol

1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol (PubChem CID 156719939) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol.

Molecular Properties

Compound Name1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol
PubChem CID156719939
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol
SMILESCN1CCC(CN2CC3(CCN3C3CCC3)C2)CC1.CO
InChIInChI=1S/C16H29N3.CH4O/c1-17-8-5-14(6-9-17)11-18-12-16(13-18)7-10-19(16)15-3-2-4-15;1-2/h14-15H,2-13H2,1H3;2H,1H3
InChIKeyXBXMRYHBHLRGIX-UHFFFAOYSA-N
XLogP1.25
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane
CID 153320481
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
CID 172630625
2,3a-dimethyl-5-[(1-methylpiperidin-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167009734
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
CID 177318564
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
ethane;1-[7-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one
CID 176968057

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol?
The IUPAC name of 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol (CID 156719939) is 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol.
What is the SMILES notation for 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol?
The canonical SMILES for 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol is CN1CCC(CN2CC3(CCN3C3CCC3)C2)CC1.CO.
What is the InChIKey of 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol?
The InChIKey is XBXMRYHBHLRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3.CH4O/c1-17-8-5-14(6-9-17)11-18-12-16(13-18)7-10-19(16)15-3-2-4-15;1-2/h14-15H,2-13H2,1H3;2H,1H3.
What are the key properties of 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol?
1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol has a molecular weight of 295.47 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-[(1-methylpiperidin-4-yl)methyl]-1,6-diazaspiro[3.3]heptane;methanol is sourced from PubChem (CID 156719939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).