ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate

C15H21NO3 — CID 764762

IUPACethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)13-4-3-9-16(11-13)10-12-5-7-14(17)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyDYGIWLWQBFTWJQ-CYBMUJFWSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate

ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate (PubChem CID 764762) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
PubChem CID764762
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccc(O)cc2)C1
InChIInChI=1S/C15H21NO3/c1-2-19-15(18)13-4-3-9-16(11-13)10-12-5-7-14(17)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3/t13-/m1/s1
InChIKeyDYGIWLWQBFTWJQ-CYBMUJFWSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylate
CID 2846092
ethyl 1-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxylate
CID 75385964
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 1376817
(4-fluorophenyl)methyl (3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
CID 95731939
ethyl 1-[[4-(2-cyanophenyl)phenyl]methyl]piperidine-3-carboxylate
CID 16618079
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate (CID 764762) is ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(Cc2ccc(O)cc2)C1.
What is the InChIKey of ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is DYGIWLWQBFTWJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(18)13-4-3-9-16(11-13)10-12-5-7-14(17)8-6-12/h5-8,13,17H,2-4,9-11H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate?
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 764762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).