3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol

C17H23N3O2 — CID 135119978

IUPAC3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1nonc1CN1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C17H23N3O2/c1-13-17(19-22-18-13)12-20-10-3-2-6-15(20)9-8-14-5-4-7-16(21)11-14/h4-5,7,11,15,21H,2-3,6,8-10,12H2,1H3
InChIKeyDFKDARKYDSDWEZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds5

About 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol

3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (PubChem CID 135119978) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
PubChem CID135119978
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol
SMILESCc1nonc1CN1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C17H23N3O2/c1-13-17(19-22-18-13)12-20-10-3-2-6-15(20)9-8-14-5-4-7-16(21)11-14/h4-5,7,11,15,21H,2-3,6,8-10,12H2,1H3
InChIKeyDFKDARKYDSDWEZ-UHFFFAOYSA-N
XLogP3.07
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
CID 58641411
3-[4-(2,5-Difluorophenyl)-1-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]-2,5-dihydropyrrol-2-yl]phenol
CID 142843052
1-[1-[4-[(Z)-2-(diethylamino)-1-nitroprop-1-enyl]-1,2,5-oxadiazol-3-yl]ethyl]-4-phenylpiperidin-4-ol
CID 88258099
4-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
CID 114331691
2-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
CID 114331900
2-(3-Methoxyphenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine
CID 135088494

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol (CID 135119978) is 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is Cc1nonc1CN1CCCCC1CCc1cccc(O)c1.
What is the InChIKey of 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
The InChIKey is DFKDARKYDSDWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-17(19-22-18-13)12-20-10-3-2-6-15(20)9-8-14-5-4-7-16(21)11-14/h4-5,7,11,15,21H,2-3,6,8-10,12H2,1H3.
What are the key properties of 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol?
3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 135119978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).