2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane

C19H36N2O — CID 170617096

IUPAC2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(OC2CCC3(CC2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H36N2O/c1-15(2)20-11-7-18(8-12-20)22-17-5-9-19(10-6-17)13-21(14-19)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyPRIUCHIKSZKMCH-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.53
Rot. Bonds4

About 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane

2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane (PubChem CID 170617096) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane
PubChem CID170617096
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane
SMILESCC(C)N1CCC(OC2CCC3(CC2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H36N2O/c1-15(2)20-11-7-18(8-12-20)22-17-5-9-19(10-6-17)13-21(14-19)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyPRIUCHIKSZKMCH-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane (CID 170617096) is 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane is CC(C)N1CCC(OC2CCC3(CC2)CN(C(C)C)C3)CC1.
What is the InChIKey of 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane?
The InChIKey is PRIUCHIKSZKMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-15(2)20-11-7-18(8-12-20)22-17-5-9-19(10-6-17)13-21(14-19)16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane?
2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane has a molecular weight of 308.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-(1-propan-2-ylpiperidin-4-yl)oxy-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170617096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).