2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride

C15H29ClN2O — CID 119931803

IUPAC2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC(CN2CCCC3(CCOCC3)C2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-14(11-16-7-1)12-17-8-2-4-15(13-17)5-9-18-10-6-15;/h14,16H,1-13H2;1H
InChIKeyWEUVUVZROYBELB-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.30
Rot. Bonds2

About 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride

2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride (PubChem CID 119931803) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
PubChem CID119931803
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC(CN2CCCC3(CCOCC3)C2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-3-14(11-16-7-1)12-17-8-2-4-15(13-17)5-9-18-10-6-15;/h14,16H,1-13H2;1H
InChIKeyWEUVUVZROYBELB-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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9-(piperidin-3-ylmethyl)-6-oxa-9-azaspiro[3.6]decane
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4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride
CID 120856747
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
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(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
CID 120849762
6-(piperidin-3-ylmethyl)-2,9-dioxa-6-azaspiro[4.5]decane
CID 120855430
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
5-(piperidin-3-ylmethyl)-5-azaspiro[3.4]octane;hydrochloride
CID 120858012

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride (CID 119931803) is 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride is C1CNCC(CN2CCCC3(CCOCC3)C2)C1.Cl.
What is the InChIKey of 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is WEUVUVZROYBELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-3-14(11-16-7-1)12-17-8-2-4-15(13-17)5-9-18-10-6-15;/h14,16H,1-13H2;1H.
What are the key properties of 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride?
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 119931803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).