methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate

C16H24N2O2 — CID 63636262

IUPACmethyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
SMILESCCN(Cc1cccc(C(=O)OC)c1)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-3-18(15-8-5-9-17-11-15)12-13-6-4-7-14(10-13)16(19)20-2/h4,6-7,10,15,17H,3,5,8-9,11-12H2,1-2H3
InChIKeyUZRGAELLNOVPDE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds5

About methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate

methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate (PubChem CID 63636262) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
PubChem CID63636262
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
SMILESCCN(Cc1cccc(C(=O)OC)c1)C1CCCNC1
InChIInChI=1S/C16H24N2O2/c1-3-18(15-8-5-9-17-11-15)12-13-6-4-7-14(10-13)16(19)20-2/h4,6-7,10,15,17H,3,5,8-9,11-12H2,1-2H3
InChIKeyUZRGAELLNOVPDE-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[azepan-4-yl(ethyl)amino]methyl]benzoate;hydrochloride
CID 120844863
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]benzoate
CID 60805783
methyl 3-[[piperidin-4-yl(propyl)amino]methyl]benzoate;hydrochloride
CID 120835573
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
3-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 55214209
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
CID 117028837

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate?
The IUPAC name of methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate (CID 63636262) is methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate is CCN(Cc1cccc(C(=O)OC)c1)C1CCCNC1.
What is the InChIKey of methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate?
The InChIKey is UZRGAELLNOVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(15-8-5-9-17-11-15)12-13-6-4-7-14(10-13)16(19)20-2/h4,6-7,10,15,17H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate?
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate is sourced from PubChem (CID 63636262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).