7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane

C21H38N2O — CID 155036623

IUPAC7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
SMILESC=C(C)OC1CC2(CCN(CC3CCN(CC(C)C)CC3)CC2)C1
InChIInChI=1S/C21H38N2O/c1-17(2)15-22-9-5-19(6-10-22)16-23-11-7-21(8-12-23)13-20(14-21)24-18(3)4/h17,19-20H,3,5-16H2,1-2,4H3
InChIKeyGGHFRKOWFPSPJZ-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.15
Rot. Bonds6

About 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane

7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane (PubChem CID 155036623) has the molecular formula C21H38N2O and a molecular weight of 334.55 g/mol. Its IUPAC name is 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
PubChem CID155036623
Molecular FormulaC21H38N2O
Molecular Weight334.55 g/mol
Exact Mass334.30
IUPAC Name7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
SMILESC=C(C)OC1CC2(CCN(CC3CCN(CC(C)C)CC3)CC2)C1
InChIInChI=1S/C21H38N2O/c1-17(2)15-22-9-5-19(6-10-22)16-23-11-7-21(8-12-23)13-20(14-21)24-18(3)4/h17,19-20H,3,5-16H2,1-2,4H3
InChIKeyGGHFRKOWFPSPJZ-UHFFFAOYSA-N
XLogP4.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7-(2-methylpropyl)-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 155751089
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 176559306
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
2-ethoxy-7-[(1-propylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane;7-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 166466663
2-(3-ethoxypropyl)-7-(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 170042273
[3-[(1-methylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecan-9-yl] acetate
CID 176694999
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane (CID 155036623) is 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane is C=C(C)OC1CC2(CCN(CC3CCN(CC(C)C)CC3)CC2)C1.
What is the InChIKey of 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane?
The InChIKey is GGHFRKOWFPSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O/c1-17(2)15-22-9-5-19(6-10-22)16-23-11-7-21(8-12-23)13-20(14-21)24-18(3)4/h17,19-20H,3,5-16H2,1-2,4H3.
What are the key properties of 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane?
7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane has a molecular weight of 334.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155036623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).