3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol

C16H24N2O2 — CID 143976874

IUPAC3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol
SMILESCC1C(CCCO)C1c1cncc(OCC2CCN2)c1
InChIInChI=1S/C16H24N2O2/c1-11-15(3-2-6-19)16(11)12-7-14(9-17-8-12)20-10-13-4-5-18-13/h7-9,11,13,15-16,18-19H,2-6,10H2,1H3
InChIKeyUOEJFHQRYNBSSO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds7

About 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol

3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol (PubChem CID 143976874) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol
PubChem CID143976874
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol
SMILESCC1C(CCCO)C1c1cncc(OCC2CCN2)c1
InChIInChI=1S/C16H24N2O2/c1-11-15(3-2-6-19)16(11)12-7-14(9-17-8-12)20-10-13-4-5-18-13/h7-9,11,13,15-16,18-19H,2-6,10H2,1H3
InChIKeyUOEJFHQRYNBSSO-UHFFFAOYSA-N
XLogP1.94
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-2-ylmethoxy)-5-[2-methyl-3-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 143976839
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
CID 46190781
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
CID 59371604
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
3-(azetidin-2-ylmethoxy)-5-pentylpyridine
CID 77323353
5-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridin-3-amine
CID 54387024
5-[[(2S)-azetidin-2-yl]methoxy]-2,3-dimethylpyridine;hydrochloride
CID 70197125
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 70881858
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
CID 163591746

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol?
The IUPAC name of 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol (CID 143976874) is 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol.
What is the SMILES notation for 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol?
The canonical SMILES for 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol is CC1C(CCCO)C1c1cncc(OCC2CCN2)c1.
What is the InChIKey of 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol?
The InChIKey is UOEJFHQRYNBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-15(3-2-6-19)16(11)12-7-14(9-17-8-12)20-10-13-4-5-18-13/h7-9,11,13,15-16,18-19H,2-6,10H2,1H3.
What are the key properties of 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol?
3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-methylcyclopropyl]propan-1-ol is sourced from PubChem (CID 143976874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).