ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate

C18H27NO4 — CID 7150367

IUPACethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C)C1
InChIInChI=1S/C18H27NO4/c1-3-22-18(21)15-8-6-10-19(11-15)12-16(20)13-23-17-9-5-4-7-14(17)2/h4-5,7,9,15-16,20H,3,6,8,10-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyIKTWWBOPIQJMLJ-CVEARBPZSA-N
MW321.42 g/mol
LogP2.01
Rot. Bonds7

About ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate

ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate (PubChem CID 7150367) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
PubChem CID7150367
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Nameethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C)C1
InChIInChI=1S/C18H27NO4/c1-3-22-18(21)15-8-6-10-19(11-15)12-16(20)13-23-17-9-5-4-7-14(17)2/h4-5,7,9,15-16,20H,3,6,8,10-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyIKTWWBOPIQJMLJ-CVEARBPZSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
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ethyl 1-(2-hydroxybutyl)piperidine-3-carboxylate
CID 60885528
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
ethyl (3R)-1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate (CID 7150367) is ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccccc2C)C1.
What is the InChIKey of ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate?
The InChIKey is IKTWWBOPIQJMLJ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-22-18(21)15-8-6-10-19(11-15)12-16(20)13-23-17-9-5-4-7-14(17)2/h4-5,7,9,15-16,20H,3,6,8,10-13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate is sourced from PubChem (CID 7150367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).