(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol

C13H23N3O2 — CID 72923748

IUPAC(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)c1nnc(CN2CC[C@](C)(O)[C@H](C)C2)o1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-15-14-11(18-12)8-16-6-5-13(4,17)10(3)7-16/h9-10,17H,5-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyGSTMKAZMSRPLAK-MFKMUULPSA-N
MW253.35 g/mol
LogP1.79
Rot. Bonds3

About (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol

(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 72923748) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
PubChem CID72923748
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)c1nnc(CN2CC[C@](C)(O)[C@H](C)C2)o1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-15-14-11(18-12)8-16-6-5-13(4,17)10(3)7-16/h9-10,17H,5-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyGSTMKAZMSRPLAK-MFKMUULPSA-N
XLogP1.79
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol (CID 72923748) is (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol is CC(C)c1nnc(CN2CC[C@](C)(O)[C@H](C)C2)o1.
What is the InChIKey of (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is GSTMKAZMSRPLAK-MFKMUULPSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)12-15-14-11(18-12)8-16-6-5-13(4,17)10(3)7-16/h9-10,17H,5-8H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol?
(3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 253.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethyl-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72923748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).