[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol

C13H15ClN2O2 — CID 172882629

IUPAC[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)15-13(18-12)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8H2
InChIKeyKBUUTOUNVSIHTQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.69
Rot. Bonds2

About [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol

[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol (PubChem CID 172882629) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
PubChem CID172882629
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)15-13(18-12)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8H2
InChIKeyKBUUTOUNVSIHTQ-UHFFFAOYSA-N
XLogP2.69
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
[1-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanol
CID 171778085
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
1-(5-chloro-1,3-benzoxazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664257
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol (CID 172882629) is [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol is OCC1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
The InChIKey is KBUUTOUNVSIHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-1-2-12-11(7-10)15-13(18-12)16-5-3-9(8-17)4-6-16/h1-2,7,9,17H,3-6,8H2.
What are the key properties of [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol?
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol has a molecular weight of 266.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 172882629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).