methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate

C17H22FNO3 — CID 144850492

IUPACmethyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate
SMILESCOC(=O)c1ccccc1OC(F)C1CCNCC1C1CC1
InChIInChI=1S/C17H22FNO3/c1-21-17(20)13-4-2-3-5-15(13)22-16(18)12-8-9-19-10-14(12)11-6-7-11/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyMBOPGLIOTVASIG-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.78
Rot. Bonds5

About methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate

methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate (PubChem CID 144850492) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate
PubChem CID144850492
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Namemethyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate
SMILESCOC(=O)c1ccccc1OC(F)C1CCNCC1C1CC1
InChIInChI=1S/C17H22FNO3/c1-21-17(20)13-4-2-3-5-15(13)22-16(18)12-8-9-19-10-14(12)11-6-7-11/h2-5,11-12,14,16,19H,6-10H2,1H3
InChIKeyMBOPGLIOTVASIG-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]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

[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591
(3-Methoxyphenyl)methyl 2-piperidin-4-yloxybenzoate
CID 71586660
methyl 2-[(S)-[(2S)-morpholin-2-yl]-phenylmethoxy]benzoate
CID 44457058
(1-Methylpiperidin-4-yl) 2-ethoxybenzoate
CID 12437903
2-Phenoxy-benzoic acid 1-methyl-piperidin-4-yl ester
CID 12437905
8-Azabicyclo[3.2.1]octan-6-yl 2-methoxybenzoate
CID 44318734
2-Methoxy-benzoic acid 1-(3-phenyl-propyl)-piperidin-3-ylmethyl ester
CID 44348388
Benzoic acid, 2-ethoxy-5-fluoro-, 3-(dibutylamino)propyl ester, hydrochloride (1:1)
CID 19677
Benzoic acid, 2-ethoxy-5-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride
CID 19681
Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride
CID 30261
2-(Cyclohexylamino)propyl 2-methoxybenzoate--hydrogen chloride (1/1)
CID 34136

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate?
The IUPAC name of methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate (CID 144850492) is methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate.
What is the SMILES notation for methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate?
The canonical SMILES for methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate is COC(=O)c1ccccc1OC(F)C1CCNCC1C1CC1.
What is the InChIKey of methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate?
The InChIKey is MBOPGLIOTVASIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-17(20)13-4-2-3-5-15(13)22-16(18)12-8-9-19-10-14(12)11-6-7-11/h2-5,11-12,14,16,19H,6-10H2,1H3.
What are the key properties of methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate?
methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate has a molecular weight of 307.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyclopropylpiperidin-4-yl)-fluoromethoxy]benzoate is sourced from PubChem (CID 144850492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).