2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid

C23H26Cl2N2O4 — CID 10217219

IUPAC2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCO[C@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C23H26Cl2N2O4/c24-20-6-5-17(13-21(20)25)31-16-7-9-26(10-8-16)14-18-15-27(11-12-30-18)22-4-2-1-3-19(22)23(28)29/h1-6,13,16,18H,7-12,14-15H2,(H,28,29)/t18-/m1/s1
InChIKeyIEBDEAQBKVURTL-GOSISDBHSA-N
MW465.38 g/mol
LogP4.44
Rot. Bonds6

About 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid

2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid (PubChem CID 10217219) has the molecular formula C23H26Cl2N2O4 and a molecular weight of 465.38 g/mol. Its IUPAC name is 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid
PubChem CID10217219
Molecular FormulaC23H26Cl2N2O4
Molecular Weight465.38 g/mol
Exact Mass464.13
IUPAC Name2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCO[C@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1
InChIInChI=1S/C23H26Cl2N2O4/c24-20-6-5-17(13-21(20)25)31-16-7-9-26(10-8-16)14-18-15-27(11-12-30-18)22-4-2-1-3-19(22)23(28)29/h1-6,13,16,18H,7-12,14-15H2,(H,28,29)/t18-/m1/s1
InChIKeyIEBDEAQBKVURTL-GOSISDBHSA-N
XLogP4.44
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid with MolForge

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Related Compounds

2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347571
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 69260714
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
CID 22241244
(2S,3R)-3-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11995869
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
2-(2-bromomorpholin-4-yl)benzoic acid
CID 175327642
2-[4-[[4-(4-chloro-3-ethylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-fluorobenzoic acid
CID 69261801
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide
CID 142274584
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid?
The IUPAC name of 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid (CID 10217219) is 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid.
What is the SMILES notation for 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid?
The canonical SMILES for 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid is O=C(O)c1ccccc1N1CCO[C@H](CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)C1.
What is the InChIKey of 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid?
The InChIKey is IEBDEAQBKVURTL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4/c24-20-6-5-17(13-21(20)25)31-16-7-9-26(10-8-16)14-18-15-27(11-12-30-18)22-4-2-1-3-19(22)23(28)29/h1-6,13,16,18H,7-12,14-15H2,(H,28,29)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid?
2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid has a molecular weight of 465.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid is sourced from PubChem (CID 10217219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).