2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine

C15H29N3O — CID 79897600

IUPAC2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C15H29N3O/c1-13(12-16)17-6-8-18(9-7-17)14-3-10-19-15(11-14)4-2-5-15/h13-14H,2-12,16H2,1H3
InChIKeyQOGSWJKVKNUBTA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine

2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine (PubChem CID 79897600) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
PubChem CID79897600
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C15H29N3O/c1-13(12-16)17-6-8-18(9-7-17)14-3-10-19-15(11-14)4-2-5-15/h13-14H,2-12,16H2,1H3
InChIKeyQOGSWJKVKNUBTA-UHFFFAOYSA-N
XLogP1.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]butanenitrile
CID 79903495
2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
CID 107134608
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)azetidin-3-ol
CID 79920651
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanamine
CID 79904682
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine (CID 79897600) is 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is QOGSWJKVKNUBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(12-16)17-6-8-18(9-7-17)14-3-10-19-15(11-14)4-2-5-15/h13-14H,2-12,16H2,1H3.
What are the key properties of 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine?
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 79897600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).