1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol

C18H25N3O2 — CID 139005584

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol
SMILESCC(C)(C)c1noc(CN2CCC(O)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(23-20-16)13-21-11-9-18(22,10-12-21)14-7-5-4-6-8-14/h4-8,22H,9-13H2,1-3H3
InChIKeyJIDFDSFECSDBMN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.85
Rot. Bonds3

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol (PubChem CID 139005584) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol
PubChem CID139005584
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol
SMILESCC(C)(C)c1noc(CN2CCC(O)(c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(23-20-16)13-21-11-9-18(22,10-12-21)14-7-5-4-6-8-14/h4-8,22H,9-13H2,1-3H3
InChIKeyJIDFDSFECSDBMN-UHFFFAOYSA-N
XLogP2.85
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
(2R,6R)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methyl-6-phenylmorpholine
CID 100841460
(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
4-(4-phenylphenyl)-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 154795678
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 26323075
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
2-[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63160844
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479413
1-[1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 56888771

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol (CID 139005584) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol is CC(C)(C)c1noc(CN2CCC(O)(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol?
The InChIKey is JIDFDSFECSDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-17(2,3)16-19-15(23-20-16)13-21-11-9-18(22,10-12-21)14-7-5-4-6-8-14/h4-8,22H,9-13H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol has a molecular weight of 315.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 139005584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).