methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate

C15H19NO4 — CID 115535703

IUPACmethyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-4-2-3-9-16(13)14(18)12-7-5-11(10-17)6-8-12/h5-8,13,17H,2-4,9-10H2,1H3
InChIKeyORTMTMCIWFVMDT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.35
Rot. Bonds3

About methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate

methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate (PubChem CID 115535703) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
PubChem CID115535703
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ccc(CO)cc1
InChIInChI=1S/C15H19NO4/c1-20-15(19)13-4-2-3-9-16(13)14(18)12-7-5-11(10-17)6-8-12/h5-8,13,17H,2-4,9-10H2,1H3
InChIKeyORTMTMCIWFVMDT-UHFFFAOYSA-N
XLogP1.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302
methyl 1-[4-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidine-2-carboxylate
CID 60816559
methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2S)-1-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]pyrrolidine-2-carboxylate
CID 124829290
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate (CID 115535703) is methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ccc(CO)cc1.
What is the InChIKey of methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate?
The InChIKey is ORTMTMCIWFVMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-15(19)13-4-2-3-9-16(13)14(18)12-7-5-11(10-17)6-8-12/h5-8,13,17H,2-4,9-10H2,1H3.
What are the key properties of methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate?
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 115535703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).