(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

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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).