methyl 2-[(piperidin-1-ylamino)methyl]benzoate

C14H20N2O2 — CID 83006496

IUPACmethyl 2-[(piperidin-1-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNN1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13-8-4-3-7-12(13)11-15-16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyFUNABMKPYDLCHI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds4

About methyl 2-[(piperidin-1-ylamino)methyl]benzoate

methyl 2-[(piperidin-1-ylamino)methyl]benzoate (PubChem CID 83006496) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[(piperidin-1-ylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(piperidin-1-ylamino)methyl]benzoate
PubChem CID83006496
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[(piperidin-1-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNN1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13-8-4-3-7-12(13)11-15-16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyFUNABMKPYDLCHI-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
1-methoxycarbonyl-2-[(sulfinatoamino)methyl]benzene
CID 66757222
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
methyl 2-[(4-tert-butylpiperidin-1-yl)methyl]benzoate
CID 82958884
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
methyl 2-[(2,5-dimethylpyrrol-1-yl)methyl]benzoate
CID 92670407
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(piperidin-1-ylamino)methyl]benzoate?
The IUPAC name of methyl 2-[(piperidin-1-ylamino)methyl]benzoate (CID 83006496) is methyl 2-[(piperidin-1-ylamino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(piperidin-1-ylamino)methyl]benzoate?
The canonical SMILES for methyl 2-[(piperidin-1-ylamino)methyl]benzoate is COC(=O)c1ccccc1CNN1CCCCC1.
What is the InChIKey of methyl 2-[(piperidin-1-ylamino)methyl]benzoate?
The InChIKey is FUNABMKPYDLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)13-8-4-3-7-12(13)11-15-16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-11H2,1H3.
What are the key properties of methyl 2-[(piperidin-1-ylamino)methyl]benzoate?
methyl 2-[(piperidin-1-ylamino)methyl]benzoate has a molecular weight of 248.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(piperidin-1-ylamino)methyl]benzoate is sourced from PubChem (CID 83006496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).