2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine

C20H30N2O3 — CID 15228209

IUPAC2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine
SMILESC(=C\COC1CCCCO1)\COc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C20H30N2O3/c1-3-11-22(12-4-1)17-18-9-10-21-19(16-18)23-13-6-7-15-25-20-8-2-5-14-24-20/h6-7,9-10,16,20H,1-5,8,11-15,17H2/b7-6-
InChIKeyLDCPWLFJQFAALO-SREVYHEPSA-N
MW346.47 g/mol
LogP3.55
Rot. Bonds8

About 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine

2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine (PubChem CID 15228209) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine
PubChem CID15228209
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine
SMILESC(=C\COC1CCCCO1)\COc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C20H30N2O3/c1-3-11-22(12-4-1)17-18-9-10-21-19(16-18)23-13-6-7-15-25-20-8-2-5-14-24-20/h6-7,9-10,16,20H,1-5,8,11-15,17H2/b7-6-
InChIKeyLDCPWLFJQFAALO-SREVYHEPSA-N
XLogP3.55
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-en-1-amine;hydrochloride
CID 121230636
1-cyclopentyl-3-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea
CID 67725976
3-oxo-3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]propanoic acid
CID 139915599
N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
CID 67845640
3-amino-4-[[(E)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobutane-1,2-dione;hydrochloride
CID 166639328
3-amino-4-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobutane-1,2-dione;hydrochloride
CID 171360878
3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]cyclobut-3-ene-1,2-dione
CID 139775806
N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589
S-[3-oxo-3-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enylamino]propyl] ethanethioate
CID 57317403
4-(cyclohexylcarbamothioylamino)-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]butanamide
CID 139652629
N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-N'-propan-2-ylpropanediamide
CID 139915609
4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]butan-1-ol
CID 15228214

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine?
The IUPAC name of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine (CID 15228209) is 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine?
The canonical SMILES for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine is C(=C\COC1CCCCO1)\COc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine?
The InChIKey is LDCPWLFJQFAALO-SREVYHEPSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-11-22(12-4-1)17-18-9-10-21-19(16-18)23-13-6-7-15-25-20-8-2-5-14-24-20/h6-7,9-10,16,20H,1-5,8,11-15,17H2/b7-6-.
What are the key properties of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine?
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine has a molecular weight of 346.47 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]-4-(piperidin-1-ylmethyl)pyridine is sourced from PubChem (CID 15228209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).