2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride

C17H21ClN2O2 — CID 68613292

IUPAC2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
SMILESCl.OCCc1cccc(-c2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C17H20N2O2.ClH/c20-7-5-13-2-1-3-14(8-13)15-9-17(11-18-10-15)21-12-16-4-6-19-16;/h1-3,8-11,16,19-20H,4-7,12H2;1H/t16-;/m0./s1
InChIKeyWBULHDWSJNSBPW-NTISSMGPSA-N
MW320.82 g/mol
LogP2.45
Rot. Bonds6

About 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride

2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride (PubChem CID 68613292) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
PubChem CID68613292
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
SMILESCl.OCCc1cccc(-c2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C17H20N2O2.ClH/c20-7-5-13-2-1-3-14(8-13)15-9-17(11-18-10-15)21-12-16-4-6-19-16;/h1-3,8-11,16,19-20H,4-7,12H2;1H/t16-;/m0./s1
InChIKeyWBULHDWSJNSBPW-NTISSMGPSA-N
XLogP2.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
CID 68611909
(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 59371322
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650
2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
CID 75168438
tert-butyl (2S)-2-[[5-[3-(3-hydroxypropyl)phenyl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate;3-[3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]phenyl]propan-1-ol
CID 157086129
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride?
The IUPAC name of 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride (CID 68613292) is 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride is Cl.OCCc1cccc(-c2cncc(OC[C@@H]3CCN3)c2)c1.
What is the InChIKey of 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride?
The InChIKey is WBULHDWSJNSBPW-NTISSMGPSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c20-7-5-13-2-1-3-14(8-13)15-9-17(11-18-10-15)21-12-16-4-6-19-16;/h1-3,8-11,16,19-20H,4-7,12H2;1H/t16-;/m0./s1.
What are the key properties of 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride?
2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 68613292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).