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

C18H25N3O2 — CID 97208136

IUPAC(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
SMILESCCCc1nnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H25N3O2/c1-2-6-17-19-20-18(23-17)21-11-9-15(10-12-21)16(22)13-14-7-4-3-5-8-14/h3-5,7-8,15-16,22H,2,6,9-13H2,1H3/t16-/m0/s1
InChIKeySICFGXSRWTVXAU-INIZCTEOSA-N
MW315.42 g/mol
LogP2.84
Rot. Bonds6

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

(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol (PubChem CID 97208136) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
PubChem CID97208136
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol
SMILESCCCc1nnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)o1
InChIInChI=1S/C18H25N3O2/c1-2-6-17-19-20-18(23-17)21-11-9-15(10-12-21)16(22)13-14-7-4-3-5-8-14/h3-5,7-8,15-16,22H,2,6,9-13H2,1H3/t16-/m0/s1
InChIKeySICFGXSRWTVXAU-INIZCTEOSA-N
XLogP2.84
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26327221
(1S)-1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97142726
4-(5-Benzyl-1,3,4-oxadiazol-2-yl)-2,2-dimethylmorpholine
CID 136568259
[(3S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]methanol
CID 164636226
2-benzyl-5-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,4-oxadiazole
CID 164642306
(4-Fluorophenyl)-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]piperidin-4-yl]methanol
CID 109837272
2-Benzyl-5-(3-fluoro-3-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 137957457
rel-(3S,4S)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-3-(4-fluorobenzyl)-3-(hydroxymethyl)-4-piperidinol
CID 165418264
1-(1-{3-[5-(3-Phenylpropyl)-1,3,4-oxadiazol-2-yl]propanoyl}-4-piperidinyl)-1-propanol
CID 45231098
1-[5-(Phenylmethyl)-1,3,4-oxadiazol-2-yl]piperidine
CID 15919001
1'-(5-Ethyl-1,3,4-oxadiazol-2-YL)-2,3-dihydrospiro[indene-1,4'-piperidin]-2-OL
CID 72841342
3-(Benzyloxy)-1-(5-cyclobutyl-1,3,4-oxadiazol-2-YL)piperidine
CID 72853834

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol (CID 97208136) is (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol is CCCc1nnc(N2CCC([C@@H](O)Cc3ccccc3)CC2)o1.
What is the InChIKey of (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol?
The InChIKey is SICFGXSRWTVXAU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-6-17-19-20-18(23-17)21-11-9-15(10-12-21)16(22)13-14-7-4-3-5-8-14/h3-5,7-8,15-16,22H,2,6,9-13H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol?
(1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 97208136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).