(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol

C18H28N2O2 — CID 7358544

IUPAC(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCOc1ccc(/C=N/CC[C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-14-13-20(3)15(2)11-18(14,21)9-10-19-12-16-5-7-17(22-4)8-6-16/h5-8,12,14-15,21H,9-11,13H2,1-4H3/b19-12+/t14-,15+,18+/m1/s1
InChIKeyWOAIYBQMKKZABM-UJYSXWEXSA-N
MW304.43 g/mol
LogP2.60
Rot. Bonds5

About (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol

(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol (PubChem CID 7358544) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
PubChem CID7358544
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol
SMILESCOc1ccc(/C=N/CC[C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-14-13-20(3)15(2)11-18(14,21)9-10-19-12-16-5-7-17(22-4)8-6-16/h5-8,12,14-15,21H,9-11,13H2,1-4H3/b19-12+/t14-,15+,18+/m1/s1
InChIKeyWOAIYBQMKKZABM-UJYSXWEXSA-N
XLogP2.60
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol (CID 7358544) is (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol is COc1ccc(/C=N/CC[C@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1.
What is the InChIKey of (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is WOAIYBQMKKZABM-UJYSXWEXSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-13-20(3)15(2)11-18(14,21)9-10-19-12-16-5-7-17(22-4)8-6-16/h5-8,12,14-15,21H,9-11,13H2,1-4H3/b19-12+/t14-,15+,18+/m1/s1.
What are the key properties of (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol?
(2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 304.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-4-[2-[(4-methoxyphenyl)methylideneamino]ethyl]-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 7358544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).