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

C18H23ClN2O2 — CID 68611909

IUPAC[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CCc2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C18H22N2O2.ClH/c21-12-16-3-1-2-14(8-16)4-5-15-9-18(11-19-10-15)22-13-17-6-7-20-17;/h1-3,8-11,17,20-21H,4-7,12-13H2;1H/t17-;/m0./s1
InChIKeyYWNOYYXROZKSKW-LMOVPXPDSA-N
MW334.85 g/mol
LogP2.52
Rot. Bonds7

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

[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride (PubChem CID 68611909) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
PubChem CID68611909
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
SMILESCl.OCc1cccc(CCc2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C18H22N2O2.ClH/c21-12-16-3-1-2-14(8-16)4-5-15-9-18(11-19-10-15)22-13-17-6-7-20-17;/h1-3,8-11,17,20-21H,4-7,12-13H2;1H/t17-;/m0./s1
InChIKeyYWNOYYXROZKSKW-LMOVPXPDSA-N
XLogP2.52
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride (CID 68611909) is [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride is Cl.OCc1cccc(CCc2cncc(OC[C@@H]3CCN3)c2)c1.
What is the InChIKey of [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride?
The InChIKey is YWNOYYXROZKSKW-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c21-12-16-3-1-2-14(8-16)4-5-15-9-18(11-19-10-15)22-13-17-6-7-20-17;/h1-3,8-11,17,20-21H,4-7,12-13H2;1H/t17-;/m0./s1.
What are the key properties of [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride?
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 68611909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).