methyl 4-piperidin-1-ylbenzoate

C13H17NO2 — CID 15154253

IUPACmethyl 4-piperidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyDGHBETAWIXVCFO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.46
Rot. Bonds2

About methyl 4-piperidin-1-ylbenzoate

methyl 4-piperidin-1-ylbenzoate (PubChem CID 15154253) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 4-piperidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 4-piperidin-1-ylbenzoate
PubChem CID15154253
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 4-piperidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H17NO2/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyDGHBETAWIXVCFO-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2480
Tetracaine Hydrochloride
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4-(Dimethylamino)benzoic acid
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Methyl N,N-dimethylanthranilate
CID 82336
Methyl 4-aminobenzoate
CID 12082
Dimethocaine
CID 7177
Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-1-ylbenzoate?
The IUPAC name of methyl 4-piperidin-1-ylbenzoate (CID 15154253) is methyl 4-piperidin-1-ylbenzoate.
What is the SMILES notation for methyl 4-piperidin-1-ylbenzoate?
The canonical SMILES for methyl 4-piperidin-1-ylbenzoate is COC(=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of methyl 4-piperidin-1-ylbenzoate?
The InChIKey is DGHBETAWIXVCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)11-5-7-12(8-6-11)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3.
What are the key properties of methyl 4-piperidin-1-ylbenzoate?
methyl 4-piperidin-1-ylbenzoate has a molecular weight of 219.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-1-ylbenzoate is sourced from PubChem (CID 15154253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).