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

C12H21N3O2 — CID 94000693

IUPAC1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCCCc1noc([C@H](C)N2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-4-11-13-12(17-14-11)9(2)15-7-5-10(16)6-8-15/h9-10,16H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYWNVPRXRNMPREI-VIFPVBQESA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds4

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

1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (PubChem CID 94000693) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
PubChem CID94000693
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
SMILESCCCc1noc([C@H](C)N2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3O2/c1-3-4-11-13-12(17-14-11)9(2)15-7-5-10(16)6-8-15/h9-10,16H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYWNVPRXRNMPREI-VIFPVBQESA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
(3S)-1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-ol
CID 94000661
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
[1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94405866
1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carbonitrile
CID 48939790
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617
3-propyl-5-[(1S)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 100835877
5-[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 86774812
1-[1-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]ethanol
CID 111461981

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol (CID 94000693) is 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is CCCc1noc([C@H](C)N2CCC(O)CC2)n1.
What is the InChIKey of 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is YWNVPRXRNMPREI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-4-11-13-12(17-14-11)9(2)15-7-5-10(16)6-8-15/h9-10,16H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol?
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 239.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 94000693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).