1-(3-piperidin-1-ylpropoxy)-2H-pyridine

C13H22N2O — CID 154453883

IUPAC1-(3-piperidin-1-ylpropoxy)-2H-pyridine
SMILESC1=CCN(OCCCN2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h2,5-6,11H,1,3-4,7-10,12-13H2
InChIKeyVEIIWKVRVGKMBB-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds5

About 1-(3-piperidin-1-ylpropoxy)-2H-pyridine

1-(3-piperidin-1-ylpropoxy)-2H-pyridine (PubChem CID 154453883) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropoxy)-2H-pyridine.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropoxy)-2H-pyridine
PubChem CID154453883
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3-piperidin-1-ylpropoxy)-2H-pyridine
SMILESC1=CCN(OCCCN2CCCCC2)C=C1
InChIInChI=1S/C13H22N2O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h2,5-6,11H,1,3-4,7-10,12-13H2
InChIKeyVEIIWKVRVGKMBB-UHFFFAOYSA-N
XLogP2.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
CID 172812158
1-(3-methyliodanuidyloxypropyl)piperidine
CID 162683920
1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine
CID 177262955
3-piperidin-1-ylpropyl formate
CID 54144211
1-(3-cyclopenta-2,4-dien-1-ylpropyl)piperidine
CID 101011722
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
3-piperidin-1-ylpropyl hydrogen sulfate
CID 56993472
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropoxy)-2H-pyridine?
The IUPAC name of 1-(3-piperidin-1-ylpropoxy)-2H-pyridine (CID 154453883) is 1-(3-piperidin-1-ylpropoxy)-2H-pyridine.
What is the SMILES notation for 1-(3-piperidin-1-ylpropoxy)-2H-pyridine?
The canonical SMILES for 1-(3-piperidin-1-ylpropoxy)-2H-pyridine is C1=CCN(OCCCN2CCCCC2)C=C1.
What is the InChIKey of 1-(3-piperidin-1-ylpropoxy)-2H-pyridine?
The InChIKey is VEIIWKVRVGKMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h2,5-6,11H,1,3-4,7-10,12-13H2.
What are the key properties of 1-(3-piperidin-1-ylpropoxy)-2H-pyridine?
1-(3-piperidin-1-ylpropoxy)-2H-pyridine has a molecular weight of 222.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropoxy)-2H-pyridine is sourced from PubChem (CID 154453883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).