trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride

C18H25ClN2O4 — CID 69316224

IUPACtrans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCC[C@H]1Oc1cccc2onc(OCC3CCNCC3)c12
InChIInChI=1S/C18H24N2O4.ClH/c21-13-3-1-4-14(13)23-15-5-2-6-16-17(15)18(20-24-16)22-11-12-7-9-19-10-8-12;/h2,5-6,12-14,19,21H,1,3-4,7-11H2;1H/t13-,14-;/m1./s1
InChIKeyKHXUVNFBWQNVHJ-DTPOWOMPSA-N
MW368.86 g/mol
LogP2.92
Rot. Bonds5

About trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride

trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride (PubChem CID 69316224) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride
PubChem CID69316224
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Nametrans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCC[C@H]1Oc1cccc2onc(OCC3CCNCC3)c12
InChIInChI=1S/C18H24N2O4.ClH/c21-13-3-1-4-14(13)23-15-5-2-6-16-17(15)18(20-24-16)22-11-12-7-9-19-10-8-12;/h2,5-6,12-14,19,21H,1,3-4,7-11H2;1H/t13-,14-;/m1./s1
InChIKeyKHXUVNFBWQNVHJ-DTPOWOMPSA-N
XLogP2.92
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride (CID 69316224) is trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride is Cl.O[C@@H]1CCC[C@H]1Oc1cccc2onc(OCC3CCNCC3)c12.
What is the InChIKey of trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride?
The InChIKey is KHXUVNFBWQNVHJ-DTPOWOMPSA-N. The full InChI is InChI=1S/C18H24N2O4.ClH/c21-13-3-1-4-14(13)23-15-5-2-6-16-17(15)18(20-24-16)22-11-12-7-9-19-10-8-12;/h2,5-6,12-14,19,21H,1,3-4,7-11H2;1H/t13-,14-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride?
trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[3-(piperidin-4-ylmethoxy)-1,2-benzoxazol-4-yl]oxy]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 69316224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).