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

C15H18ClN3O2 — CID 118784767

IUPAC4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
SMILESCc1nnc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C15H18ClN3O2/c1-11-17-18-14(21-11)10-19-8-6-15(20,7-9-19)12-2-4-13(16)5-3-12/h2-5,20H,6-10H2,1H3
InChIKeyKKMRPAFZDGACKG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.52
Rot. Bonds3

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

4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 118784767) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
PubChem CID118784767
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
SMILESCc1nnc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C15H18ClN3O2/c1-11-17-18-14(21-11)10-19-8-6-15(20,7-9-19)12-2-4-13(16)5-3-12/h2-5,20H,6-10H2,1H3
InChIKeyKKMRPAFZDGACKG-UHFFFAOYSA-N
XLogP2.52
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol (CID 118784767) is 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol is Cc1nnc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is KKMRPAFZDGACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-17-18-14(21-11)10-19-8-6-15(20,7-9-19)12-2-4-13(16)5-3-12/h2-5,20H,6-10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 307.78 g/mol, XLogP of 2.52, 3 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-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 118784767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).