methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate

C15H22N2O2 — CID 117003563

IUPACmethyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCC(CCN)CC1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)13-4-2-3-5-14(13)17-10-7-12(6-9-16)8-11-17/h2-5,12H,6-11,16H2,1H3
InChIKeyLNWZLENSGAAAMO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate

methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate (PubChem CID 117003563) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
PubChem CID117003563
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CCC(CCN)CC1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)13-4-2-3-5-14(13)17-10-7-12(6-9-16)8-11-17/h2-5,12H,6-11,16H2,1H3
InChIKeyLNWZLENSGAAAMO-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(azetidin-1-yl)benzoate
CID 131095388
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
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CID 117024402
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
methyl 2-amino-3-(4-ethylazepan-1-yl)benzoate
CID 115546284
methyl 2-[3-(2-formamido-3-methylbutyl)pyrrolidin-1-yl]benzoate
CID 137352966
methyl 2-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 113332380
methyl 2-[4-(2-phenylacetyl)piperazin-1-yl]benzoate
CID 113078376
methyl 2-[4-(tert-butylcarbamoyl)piperazin-1-yl]benzoate
CID 113110433
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
methyl 2-[(3R)-3-methylpiperazin-1-yl]benzoate
CID 45072853

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate (CID 117003563) is methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate is COC(=O)c1ccccc1N1CCC(CCN)CC1.
What is the InChIKey of methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate?
The InChIKey is LNWZLENSGAAAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15(18)13-4-2-3-5-14(13)17-10-7-12(6-9-16)8-11-17/h2-5,12H,6-11,16H2,1H3.
What are the key properties of methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate?
methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminoethyl)piperidin-1-yl]benzoate is sourced from PubChem (CID 117003563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).