9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane

C20H38N2O — CID 155702568

IUPAC9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
SMILESCOC1CCC2(CC1)CCN(CC1CCN(C(C)C)CC1)CC2
InChIInChI=1S/C20H38N2O/c1-17(2)22-12-6-18(7-13-22)16-21-14-10-20(11-15-21)8-4-19(23-3)5-9-20/h17-19H,4-16H2,1-3H3
InChIKeyOOGGMSXXBIOMJJ-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.78
Rot. Bonds4

About 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane

9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane (PubChem CID 155702568) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
PubChem CID155702568
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
SMILESCOC1CCC2(CC1)CCN(CC1CCN(C(C)C)CC1)CC2
InChIInChI=1S/C20H38N2O/c1-17(2)22-12-6-18(7-13-22)16-21-14-10-20(11-15-21)8-4-19(23-3)5-9-20/h17-19H,4-16H2,1-3H3
InChIKeyOOGGMSXXBIOMJJ-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
(3R)-8-(cyclopropylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375029
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane?
The IUPAC name of 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane (CID 155702568) is 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane is COC1CCC2(CC1)CCN(CC1CCN(C(C)C)CC1)CC2.
What is the InChIKey of 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane?
The InChIKey is OOGGMSXXBIOMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-17(2)22-12-6-18(7-13-22)16-21-14-10-20(11-15-21)8-4-19(23-3)5-9-20/h17-19H,4-16H2,1-3H3.
What are the key properties of 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane?
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane has a molecular weight of 322.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 155702568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).