[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium

C15H30N3+ — CID 177319175

IUPAC[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
SMILESCN1CC2(CCC(CN3CCC([NH3+])CC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-17-11-15(12-17)6-2-13(3-7-15)10-18-8-4-14(16)5-9-18/h13-14H,2-12,16H2,1H3/p+1
InChIKeyYZNZWUQNKARVTQ-UHFFFAOYSA-O
MW252.43 g/mol
LogP0.81
Rot. Bonds2

About [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium

[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium (PubChem CID 177319175) has the molecular formula C15H30N3+ and a molecular weight of 252.43 g/mol. Its IUPAC name is [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium.

Molecular Properties

Compound Name[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
PubChem CID177319175
Molecular FormulaC15H30N3+
Molecular Weight252.43 g/mol
Exact Mass252.24
IUPAC Name[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
SMILESCN1CC2(CCC(CN3CCC([NH3+])CC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-17-11-15(12-17)6-2-13(3-7-15)10-18-8-4-14(16)5-9-18/h13-14H,2-12,16H2,1H3/p+1
InChIKeyYZNZWUQNKARVTQ-UHFFFAOYSA-O
XLogP0.81
TPSA34.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium?
The IUPAC name of [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium (CID 177319175) is [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium.
What is the SMILES notation for [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium?
The canonical SMILES for [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium is CN1CC2(CCC(CN3CCC([NH3+])CC3)CC2)C1.
What is the InChIKey of [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium?
The InChIKey is YZNZWUQNKARVTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H29N3/c1-17-11-15(12-17)6-2-13(3-7-15)10-18-8-4-14(16)5-9-18/h13-14H,2-12,16H2,1H3/p+1.
What are the key properties of [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium?
[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium has a molecular weight of 252.43 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium is sourced from PubChem (CID 177319175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).