2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid

C19H26Cl2N2O3 — CID 69347571

IUPAC2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H26Cl2N2O3/c20-17-2-1-16(11-18(17)21)26-15-5-9-22(10-6-15)12-14-3-7-23(8-4-14)13-19(24)25/h1-2,11,14-15H,3-10,12-13H2,(H,24,25)
InChIKeyPOLCWJARSLKCAT-UHFFFAOYSA-N
MW401.33 g/mol
LogP3.63
Rot. Bonds6

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

2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid (PubChem CID 69347571) has the molecular formula C19H26Cl2N2O3 and a molecular weight of 401.33 g/mol. Its IUPAC name is 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
PubChem CID69347571
Molecular FormulaC19H26Cl2N2O3
Molecular Weight401.33 g/mol
Exact Mass400.13
IUPAC Name2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H26Cl2N2O3/c20-17-2-1-16(11-18(17)21)26-15-5-9-22(10-6-15)12-14-3-7-23(8-4-14)13-19(24)25/h1-2,11,14-15H,3-10,12-13H2,(H,24,25)
InChIKeyPOLCWJARSLKCAT-UHFFFAOYSA-N
XLogP3.63
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 69260714
3-[[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]methyl]-4-propan-2-ylpyridine-2-carboxylic acid
CID 69349043
methyl (2S)-3-cyclopentyl-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate
CID 11992184
2-(3-acetamidophenyl)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347720
methyl 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoate
CID 66615722
2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
CID 87826645
2-[4-[[4-(4-chloro-3-ethylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-fluorobenzoic acid
CID 69261801
4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 69260286
2-[4-[[4-(3-chloro-4-cyanophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 68930022
3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid
CID 10217219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid (CID 69347571) is 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1.
What is the InChIKey of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
The InChIKey is POLCWJARSLKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O3/c20-17-2-1-16(11-18(17)21)26-15-5-9-22(10-6-15)12-14-3-7-23(8-4-14)13-19(24)25/h1-2,11,14-15H,3-10,12-13H2,(H,24,25).
What are the key properties of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid?
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid has a molecular weight of 401.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 69347571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).