methyl 4-(piperidin-3-ylmethyl)benzoate

C14H19NO2 — CID 45074031

IUPACmethyl 4-(piperidin-3-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-6-4-11(5-7-13)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyZSNDMTPMWVLRJJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.02
Rot. Bonds3

About methyl 4-(piperidin-3-ylmethyl)benzoate

methyl 4-(piperidin-3-ylmethyl)benzoate (PubChem CID 45074031) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-(piperidin-3-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(piperidin-3-ylmethyl)benzoate
PubChem CID45074031
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-(piperidin-3-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-6-4-11(5-7-13)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyZSNDMTPMWVLRJJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
CID 56900934
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
methyl 4-[[(3R)-piperidin-3-yl]sulfamoylmethyl]benzoate
CID 104645715
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
CID 82260307
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
CID 56887195

Frequently Asked Questions

What is the IUPAC name of methyl 4-(piperidin-3-ylmethyl)benzoate?
The IUPAC name of methyl 4-(piperidin-3-ylmethyl)benzoate (CID 45074031) is methyl 4-(piperidin-3-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(piperidin-3-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(piperidin-3-ylmethyl)benzoate is COC(=O)c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of methyl 4-(piperidin-3-ylmethyl)benzoate?
The InChIKey is ZSNDMTPMWVLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13-6-4-11(5-7-13)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of methyl 4-(piperidin-3-ylmethyl)benzoate?
methyl 4-(piperidin-3-ylmethyl)benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(piperidin-3-ylmethyl)benzoate is sourced from PubChem (CID 45074031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).