methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate

C17H25NO2 — CID 50901624

IUPACmethyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@@H]1CCCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(17(19)20-3)16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyCMQMUWMKRNXSCS-LZWOXQAQSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds4

About methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate

methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate (PubChem CID 50901624) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
PubChem CID50901624
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate
SMILESCOC(=O)[C@@H](C)[C@@H]1CCCCN1[C@H](C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13(17(19)20-3)16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3/t13-,14+,16-/m0/s1
InChIKeyCMQMUWMKRNXSCS-LZWOXQAQSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
methyl (2S,3S)-2,3-dihydroxy-3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 138966686
methyl 2-(1-tert-butylpiperidin-2-yl)-2-phenylacetate
CID 59825361
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate (CID 50901624) is methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate is COC(=O)[C@@H](C)[C@@H]1CCCCN1[C@H](C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate?
The InChIKey is CMQMUWMKRNXSCS-LZWOXQAQSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(17(19)20-3)16-11-7-8-12-18(16)14(2)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3/t13-,14+,16-/m0/s1.
What are the key properties of methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate?
methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S)-1-[(1R)-1-phenylethyl]piperidin-2-yl]propanoate is sourced from PubChem (CID 50901624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).