methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate

C14H19ClN2O2 — CID 106633173

IUPACmethyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCC2CCCCN2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-14(18)12-8-10(5-6-13(12)15)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyVZOACPWGGNNADV-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate

methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate (PubChem CID 106633173) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
PubChem CID106633173
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCC2CCCCN2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-14(18)12-8-10(5-6-13(12)15)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3
InChIKeyVZOACPWGGNNADV-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
4-chloro-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106633380
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
methyl 2-chloro-5-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 37230634
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
ethyl 4-(pyrrolidin-2-ylmethylamino)benzoate
CID 106636876
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate (CID 106633173) is methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate is COC(=O)c1cc(NCC2CCCCN2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate?
The InChIKey is VZOACPWGGNNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-14(18)12-8-10(5-6-13(12)15)17-9-11-4-2-3-7-16-11/h5-6,8,11,16-17H,2-4,7,9H2,1H3.
What are the key properties of methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate?
methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate has a molecular weight of 282.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate is sourced from PubChem (CID 106633173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).