2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane

C15H28N2O — CID 167009656

IUPAC2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane
SMILESCC1CC2(COCCN2CC2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-13-9-15(10-13)12-18-8-7-17(15)11-14-3-5-16(2)6-4-14/h13-14H,3-12H2,1-2H3
InChIKeyXHULMXSKCAAWJQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane

2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane (PubChem CID 167009656) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane
PubChem CID167009656
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane
SMILESCC1CC2(COCCN2CC2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-13-9-15(10-13)12-18-8-7-17(15)11-14-3-5-16(2)6-4-14/h13-14H,3-12H2,1-2H3
InChIKeyXHULMXSKCAAWJQ-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-methyl-2-[(1S,5S)-3-methyl-6-(1-methylpiperidin-4-yl)-3,6-diazabicyclo[3.2.1]octan-1-yl]piperidin-4-yl]methyl]-2-propan-2-yl-8-oxa-5-azaspiro[3.5]nonane
CID 167009768
4-(cyclobutylmethyl)-3,3-dimethylmorpholine
CID 127377423
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
6-(piperidin-3-ylmethyl)-2,9-dioxa-6-azaspiro[4.5]decane
CID 120855430
1,4-dimethylpiperidine;4-ethyl-1-methylpiperidine;4-methylmorpholine
CID 142096789
butane;ethane;3-[[5-[(1-methylpiperidin-4-yl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl]methyl]cyclobutan-1-ol
CID 168901186
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
CID 172630127
1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396296
1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97372202
[3-[(1-methylpiperidin-4-yl)methyl]oxetan-3-yl]methanol
CID 116930439
3-[(3,3-dimethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 66010292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane (CID 167009656) is 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane is CC1CC2(COCCN2CC2CCN(C)CC2)C1.
What is the InChIKey of 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane?
The InChIKey is XHULMXSKCAAWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13-9-15(10-13)12-18-8-7-17(15)11-14-3-5-16(2)6-4-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane?
2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane has a molecular weight of 252.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylpiperidin-4-yl)methyl]-8-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 167009656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).