[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate

C14H27NO3 — CID 66841392

IUPAC[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(O)CN1CC[C@H](OC(=O)C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C14H27NO3/c1-10-8-15(9-11(2)16)7-6-12(10)18-13(17)14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11?,12-/m0/s1
InChIKeyYGEXZGJIYCCXSW-PRWSFJOGSA-N
MW257.37 g/mol
LogP1.67
Rot. Bonds3

About [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate

[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 66841392) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID66841392
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(O)CN1CC[C@H](OC(=O)C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C14H27NO3/c1-10-8-15(9-11(2)16)7-6-12(10)18-13(17)14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11?,12-/m0/s1
InChIKeyYGEXZGJIYCCXSW-PRWSFJOGSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate 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 [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate (CID 66841392) is [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate is CC(O)CN1CC[C@H](OC(=O)C(C)(C)C)[C@@H](C)C1.
What is the InChIKey of [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is YGEXZGJIYCCXSW-PRWSFJOGSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10-8-15(9-11(2)16)7-6-12(10)18-13(17)14(3,4)5/h10-12,16H,6-9H2,1-5H3/t10-,11?,12-/m0/s1.
What are the key properties of [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate?
[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 66841392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).