2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

C24H29Cl2N3O3 — CID 69260714

IUPAC2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)n1
InChIInChI=1S/C24H29Cl2N3O3/c1-16-2-4-20(24(30)31)23(27-16)29-12-6-17(7-13-29)15-28-10-8-18(9-11-28)32-19-3-5-21(25)22(26)14-19/h2-5,14,17-18H,6-13,15H2,1H3,(H,30,31)
InChIKeyQIFYHTWJTNJWIY-UHFFFAOYSA-N
MW478.42 g/mol
LogP5.15
Rot. Bonds6

About 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid

2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 69260714) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID69260714
Molecular FormulaC24H29Cl2N3O3
Molecular Weight478.42 g/mol
Exact Mass477.16
IUPAC Name2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)n1
InChIInChI=1S/C24H29Cl2N3O3/c1-16-2-4-20(24(30)31)23(27-16)29-12-6-17(7-13-29)15-28-10-8-18(9-11-28)32-19-3-5-21(25)22(26)14-19/h2-5,14,17-18H,6-13,15H2,1H3,(H,30,31)
InChIKeyQIFYHTWJTNJWIY-UHFFFAOYSA-N
XLogP5.15
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic 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
(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-(4-chloro-3-ethylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-5-fluorobenzoic acid
CID 69261801
methyl (2S)-3-cyclopentyl-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate
CID 11992184
3-[[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]methyl]-4-propan-2-ylpyridine-2-carboxylic acid
CID 69349043
2-(3-acetamidophenyl)-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347720
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
methyl 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoate
CID 66615722
2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]benzoic acid
CID 10217219
4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 69260286
4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidine-1-carboxylic acid
CID 141166993
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 22322200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 69260714) is 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)n1.
What is the InChIKey of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is QIFYHTWJTNJWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c1-16-2-4-20(24(30)31)23(27-16)29-12-6-17(7-13-29)15-28-10-8-18(9-11-28)32-19-3-5-21(25)22(26)14-19/h2-5,14,17-18H,6-13,15H2,1H3,(H,30,31).
What are the key properties of 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid?
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 478.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 69260714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).