(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol

C17H28N2O2 — CID 72867365

IUPAC(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O
InChIInChI=1S/C17H28N2O2/c1-13-11-19(9-8-17(13,2)20)12-15-10-16(18-21-15)14-6-4-3-5-7-14/h10,13-14,20H,3-9,11-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyVQTUDLRLGMAKSJ-DYVFJYSZSA-N
MW292.42 g/mol
LogP3.32
Rot. Bonds3

About (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol

(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol (PubChem CID 72867365) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol
PubChem CID72867365
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O
InChIInChI=1S/C17H28N2O2/c1-13-11-19(9-8-17(13,2)20)12-15-10-16(18-21-15)14-6-4-3-5-7-14/h10,13-14,20H,3-9,11-12H2,1-2H3/t13-,17+/m1/s1
InChIKeyVQTUDLRLGMAKSJ-DYVFJYSZSA-N
XLogP3.32
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol (CID 72867365) is (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol is C[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@]1(C)O.
What is the InChIKey of (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is VQTUDLRLGMAKSJ-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-11-19(9-8-17(13,2)20)12-15-10-16(18-21-15)14-6-4-3-5-7-14/h10,13-14,20H,3-9,11-12H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 292.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72867365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).