methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate

C16H21NO4 — CID 61011110

IUPACmethyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(CO)cc1
InChIInChI=1S/C16H21NO4/c1-21-15(19)10-14-4-2-3-9-17(14)16(20)13-7-5-12(11-18)6-8-13/h5-8,14,18H,2-4,9-11H2,1H3
InChIKeyHKXOHTLLGPTEHT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate

methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate (PubChem CID 61011110) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
PubChem CID61011110
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1ccc(CO)cc1
InChIInChI=1S/C16H21NO4/c1-21-15(19)10-14-4-2-3-9-17(14)16(20)13-7-5-12(11-18)6-8-13/h5-8,14,18H,2-4,9-11H2,1H3
InChIKeyHKXOHTLLGPTEHT-UHFFFAOYSA-N
XLogP1.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
methyl 2-[1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoyl]piperidin-2-yl]acetate
CID 15986844
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
methyl 2-[(2R)-1-[3-hydroxy-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetate
CID 166280266
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate (CID 61011110) is methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1ccc(CO)cc1.
What is the InChIKey of methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate?
The InChIKey is HKXOHTLLGPTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-15(19)10-14-4-2-3-9-17(14)16(20)13-7-5-12(11-18)6-8-13/h5-8,14,18H,2-4,9-11H2,1H3.
What are the key properties of methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate?
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61011110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).