(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol

C12H23N3O2 — CID 163960989

IUPAC(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
SMILESCC(C)C1=NC(N2CCC([C@H](C)O)CC2)ON1
InChIInChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)15-6-4-10(5-7-15)9(3)16/h8-10,12,16H,4-7H2,1-3H3,(H,13,14)/t9-,12?/m0/s1
InChIKeySHKMJJLRZZHGQD-QHGLUPRGSA-N
MW241.33 g/mol
LogP0.95
Rot. Bonds3

About (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol

(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol (PubChem CID 163960989) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
PubChem CID163960989
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
SMILESCC(C)C1=NC(N2CCC([C@H](C)O)CC2)ON1
InChIInChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)15-6-4-10(5-7-15)9(3)16/h8-10,12,16H,4-7H2,1-3H3,(H,13,14)/t9-,12?/m0/s1
InChIKeySHKMJJLRZZHGQD-QHGLUPRGSA-N
XLogP0.95
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol with MolForge

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Related Compounds

(NZ)-N-(1-amino-2-methylpropylidene)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 145380334
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
N'-hydroxy-5-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524530
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
CID 102958311
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
CID 102958315
N'-hydroxy-4-(3-hydroxy-4-methylpiperidin-1-yl)butanimidamide
CID 102958318
N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958320
N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 106836097
N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 106836098
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide
CID 106836099
N'-hydroxy-2-[1-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 106836102

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol (CID 163960989) is (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol is CC(C)C1=NC(N2CCC([C@H](C)O)CC2)ON1.
What is the InChIKey of (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?
The InChIKey is SHKMJJLRZZHGQD-QHGLUPRGSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)15-6-4-10(5-7-15)9(3)16/h8-10,12,16H,4-7H2,1-3H3,(H,13,14)/t9-,12?/m0/s1.
What are the key properties of (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?
(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol has a molecular weight of 241.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 163960989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).