3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol

C16H26N2O3 — CID 156720160

IUPAC3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol
SMILESCCN1CC(OCCCc2ccc(OCCCO)cn2)C1
InChIInChI=1S/C16H26N2O3/c1-2-18-12-16(13-18)21-9-3-5-14-6-7-15(11-17-14)20-10-4-8-19/h6-7,11,16,19H,2-5,8-10,12-13H2,1H3
InChIKeySGJXTCPKWRUBIK-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.50
Rot. Bonds10

About 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol

3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol (PubChem CID 156720160) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol
PubChem CID156720160
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol
SMILESCCN1CC(OCCCc2ccc(OCCCO)cn2)C1
InChIInChI=1S/C16H26N2O3/c1-2-18-12-16(13-18)21-9-3-5-14-6-7-15(11-17-14)20-10-4-8-19/h6-7,11,16,19H,2-5,8-10,12-13H2,1H3
InChIKeySGJXTCPKWRUBIK-UHFFFAOYSA-N
XLogP1.50
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol with MolForge

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Related Compounds

4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[3-[1-[2,5-dimethyl-5-[4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidin-1-yl]hexan-2-yl]azetidin-3-yl]oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine
CID 146332227
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
6-[(6-chloro-3-pyridinyl)oxy]hexan-1-ol
CID 103867951

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol (CID 156720160) is 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol is CCN1CC(OCCCc2ccc(OCCCO)cn2)C1.
What is the InChIKey of 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol?
The InChIKey is SGJXTCPKWRUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-18-12-16(13-18)21-9-3-5-14-6-7-15(11-17-14)20-10-4-8-19/h6-7,11,16,19H,2-5,8-10,12-13H2,1H3.
What are the key properties of 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol?
3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(1-ethylazetidin-3-yl)oxypropyl]-3-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 156720160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).