2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane

C17H32N2O — CID 79677564

IUPAC2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane
SMILESC1CCCC2(CC1)CN(CCCOC1CCNCC1)C2
InChIInChI=1S/C17H32N2O/c1-2-4-9-17(8-3-1)14-19(15-17)12-5-13-20-16-6-10-18-11-7-16/h16,18H,1-15H2
InChIKeyWLAGNPVMCWGANX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds5

About 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane

2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane (PubChem CID 79677564) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane.

Molecular Properties

Compound Name2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane
PubChem CID79677564
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane
SMILESC1CCCC2(CC1)CN(CCCOC1CCNCC1)C2
InChIInChI=1S/C17H32N2O/c1-2-4-9-17(8-3-1)14-19(15-17)12-5-13-20-16-6-10-18-11-7-16/h16,18H,1-15H2
InChIKeyWLAGNPVMCWGANX-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
CID 79678748
2-(2-piperidin-4-yloxyethyl)-2-azaspiro[3.6]decane
CID 79678043
4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
CID 65418148
4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
CID 63871035
7,7-dimethyl-4-(3-piperidin-4-yloxypropyl)-1,4-thiazepane
CID 107456139
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
3-methoxy-1-(3-piperidin-4-yloxypropyl)piperidine
CID 102963853
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine
CID 63903619
N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
CID 81464896
1-(piperidin-4-yloxymethyl)cyclohexan-1-ol
CID 106939260
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
4-pentoxypiperidine
CID 43167830

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane?
The IUPAC name of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane (CID 79677564) is 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane.
What is the SMILES notation for 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane?
The canonical SMILES for 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane is C1CCCC2(CC1)CN(CCCOC1CCNCC1)C2.
What is the InChIKey of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane?
The InChIKey is WLAGNPVMCWGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-4-9-17(8-3-1)14-19(15-17)12-5-13-20-16-6-10-18-11-7-16/h16,18H,1-15H2.
What are the key properties of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane?
2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane has a molecular weight of 280.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.6]decane is sourced from PubChem (CID 79677564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).