2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane

C14H26N2O — CID 79678748

IUPAC2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESC(COC1CCNCC1)CN1CC2(CCC2)C1
InChIInChI=1S/C14H26N2O/c1-5-14(6-1)11-16(12-14)9-2-10-17-13-3-7-15-8-4-13/h13,15H,1-12H2
InChIKeyQNANMSJMRVYSLX-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds5

About 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane

2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane (PubChem CID 79678748) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
PubChem CID79678748
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane
SMILESC(COC1CCNCC1)CN1CC2(CCC2)C1
InChIInChI=1S/C14H26N2O/c1-5-14(6-1)11-16(12-14)9-2-10-17-13-3-7-15-8-4-13/h13,15H,1-12H2
InChIKeyQNANMSJMRVYSLX-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
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[3.6]decane
CID 79677564
2-(2-piperidin-4-yloxyethyl)-2-azaspiro[3.6]decane
CID 79678043
4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
CID 65418148
7,7-dimethyl-4-(3-piperidin-4-yloxypropyl)-1,4-thiazepane
CID 107456139
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
CID 63871035
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
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
4-pentoxypiperidine
CID 43167830
2-butyl-2-azaspiro[3.3]heptane
CID 170365296

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane (CID 79678748) is 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane is C(COC1CCNCC1)CN1CC2(CCC2)C1.
What is the InChIKey of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane?
The InChIKey is QNANMSJMRVYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-14(6-1)11-16(12-14)9-2-10-17-13-3-7-15-8-4-13/h13,15H,1-12H2.
What are the key properties of 2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane?
2-(3-piperidin-4-yloxypropyl)-2-azaspiro[3.3]heptane has a molecular weight of 238.37 g/mol, XLogP of 1.63, 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[3.3]heptane is sourced from PubChem (CID 79678748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).