4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol

C17H20ClN3O2 — CID 91839373

IUPAC4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-3-13(4-6-14)17(22)7-9-21(10-8-17)11-15-19-16(23-20-15)12-1-2-12/h3-6,12,22H,1-2,7-11H2
InChIKeyQFIHXXNHMYILKN-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.08
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol (PubChem CID 91839373) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
PubChem CID91839373
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-5-3-13(4-6-14)17(22)7-9-21(10-8-17)11-15-19-16(23-20-15)12-1-2-12/h3-6,12,22H,1-2,7-11H2
InChIKeyQFIHXXNHMYILKN-UHFFFAOYSA-N
XLogP3.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
CID 118784767
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
3-[[4-[(1S)-1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 97066793
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
4-(4-phenylphenyl)-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 154795678
(4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97119499
5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126806999
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol (CID 91839373) is 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is QFIHXXNHMYILKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-5-3-13(4-6-14)17(22)7-9-21(10-8-17)11-15-19-16(23-20-15)12-1-2-12/h3-6,12,22H,1-2,7-11H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 333.82 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 91839373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).