methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate

C19H23NO4 — CID 50966992

IUPACmethyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-23-18-8-7-13(15-5-3-4-6-16(15)18)12-20-10-9-14(21)11-17(20)19(22)24-2/h3-8,14,17,21H,9-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyOPZKLUSZYWYVGB-WMLDXEAASA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds4

About methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate

methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate (PubChem CID 50966992) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate
PubChem CID50966992
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-23-18-8-7-13(15-5-3-4-6-16(15)18)12-20-10-9-14(21)11-17(20)19(22)24-2/h3-8,14,17,21H,9-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyOPZKLUSZYWYVGB-WMLDXEAASA-N
XLogP2.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S,4R)-1-[(3-chlorophenyl)methyl]-4-hydroxypiperidine-2-carboxylate
CID 133118121
methyl (2S,4R)-4-hydroxy-1-[[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]pyrrolidine-2-carboxylate
CID 46992000
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
methyl (2S,4R)-1-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-4-hydroxypiperidine-2-carboxylate
CID 133109552
methyl (2R,4S)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 99858645
methyl (2R,4R)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 99824076
methyl (2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 97159593
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971497
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
methyl (2S,4R)-1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-hydroxypiperidine-2-carboxylate
CID 133114014
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate (CID 50966992) is methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate is COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(OC)c2ccccc12.
What is the InChIKey of methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate?
The InChIKey is OPZKLUSZYWYVGB-WMLDXEAASA-N. The full InChI is InChI=1S/C19H23NO4/c1-23-18-8-7-13(15-5-3-4-6-16(15)18)12-20-10-9-14(21)11-17(20)19(22)24-2/h3-8,14,17,21H,9-12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate?
methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 50966992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).