methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate

C14H18ClNO3 — CID 110027489

IUPACmethyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(CN2CCCC(O)C2)c1
InChIInChI=1S/C14H18ClNO3/c1-19-14(18)10-4-5-13(15)11(7-10)8-16-6-2-3-12(17)9-16/h4-5,7,12,17H,2-3,6,8-9H2,1H3
InChIKeyUUFJTJINTKKFNG-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.08
Rot. Bonds3

About methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate

methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate (PubChem CID 110027489) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate
PubChem CID110027489
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(CN2CCCC(O)C2)c1
InChIInChI=1S/C14H18ClNO3/c1-19-14(18)10-4-5-13(15)11(7-10)8-16-6-2-3-12(17)9-16/h4-5,7,12,17H,2-3,6,8-9H2,1H3
InChIKeyUUFJTJINTKKFNG-UHFFFAOYSA-N
XLogP2.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-chlorobenzoate
CID 120845913
methyl 4-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 110027496
methyl 3-[(3-aminopiperidin-1-yl)methyl]-4-chlorobenzoate
CID 120834745
methyl 3-[[3-(aminomethyl)piperidin-1-yl]methyl]-4-chlorobenzoate
CID 120836635
methyl 4-chloro-3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzoate
CID 120835692
methyl 4-chloro-3-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 120838389
methyl 4-chloro-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoate
CID 110027492
methyl 4-chloro-3-(piperazin-1-ylmethyl)benzoate;hydrochloride
CID 120833596
methyl 3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-chlorobenzoate;hydrochloride
CID 120841858
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
methyl 3-[(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methyl]-4-chlorobenzoate
CID 120844020
methyl 4-chloro-3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoate
CID 107225197

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate (CID 110027489) is methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate is COC(=O)c1ccc(Cl)c(CN2CCCC(O)C2)c1.
What is the InChIKey of methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate?
The InChIKey is UUFJTJINTKKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-14(18)10-4-5-13(15)11(7-10)8-16-6-2-3-12(17)9-16/h4-5,7,12,17H,2-3,6,8-9H2,1H3.
What are the key properties of methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate?
methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate has a molecular weight of 283.75 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(3-hydroxypiperidin-1-yl)methyl]benzoate is sourced from PubChem (CID 110027489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).