methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate

C15H21NO3 — CID 82969171

IUPACmethyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN1CCCC(CO)C1
InChIInChI=1S/C15H21NO3/c1-19-15(18)14-7-3-2-6-13(14)10-16-8-4-5-12(9-16)11-17/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyWPILRXSAXUDAFC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate

methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate (PubChem CID 82969171) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
PubChem CID82969171
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN1CCCC(CO)C1
InChIInChI=1S/C15H21NO3/c1-19-15(18)14-7-3-2-6-13(14)10-16-8-4-5-12(9-16)11-17/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyWPILRXSAXUDAFC-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
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CID 98870833
methyl 2-[(4-aminopiperidin-1-yl)methyl]benzoate;dihydrochloride
CID 53256226
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43590347
methyl 4-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 110027496
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
methyl 2-(piperazin-1-ylmethyl)benzoate
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methyl 2-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]benzoate
CID 82957081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate (CID 82969171) is methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate is COC(=O)c1ccccc1CN1CCCC(CO)C1.
What is the InChIKey of methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate?
The InChIKey is WPILRXSAXUDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-15(18)14-7-3-2-6-13(14)10-16-8-4-5-12(9-16)11-17/h2-3,6-7,12,17H,4-5,8-11H2,1H3.
What are the key properties of methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate?
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 82969171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).