6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol

C15H20N2O2 — CID 11983356

IUPAC6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
SMILESOCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKeyWONBUILDJNKYCB-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.34
Rot. Bonds6

About 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol

6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol (PubChem CID 11983356) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol.

Molecular Properties

Compound Name6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
PubChem CID11983356
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
SMILESOCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKeyWONBUILDJNKYCB-AWEZNQCLSA-N
XLogP1.34
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The IUPAC name of 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol (CID 11983356) is 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol.
What is the SMILES notation for 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The canonical SMILES for 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol is OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
The InChIKey is WONBUILDJNKYCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1.
What are the key properties of 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol?
6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol is sourced from PubChem (CID 11983356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).