2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine

C18H18Cl2N2O — CID 164601785

IUPAC2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine
SMILESClc1ccc(OCc2cc(C=C3CCNCC3)ccn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-15-1-2-18(17(20)11-15)23-12-16-10-14(5-8-22-16)9-13-3-6-21-7-4-13/h1-2,5,8-11,21H,3-4,6-7,12H2
InChIKeyXZGNEQQIFOSDGR-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.73
Rot. Bonds4

About 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine

2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine (PubChem CID 164601785) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine
PubChem CID164601785
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine
SMILESClc1ccc(OCc2cc(C=C3CCNCC3)ccn2)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O/c19-15-1-2-18(17(20)11-15)23-12-16-10-14(5-8-22-16)9-13-3-6-21-7-4-13/h1-2,5,8-11,21H,3-4,6-7,12H2
InChIKeyXZGNEQQIFOSDGR-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
4-bromo-2-[(2,4-dichlorophenoxy)methyl]pyridine;(4-bromo-2-pyridinyl)methanol
CID 167650067
2-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82240126
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
2-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-4-(trifluoromethyl)pyridine
CID 58405172
3-[(2,4-dichlorophenoxy)methyl]-1,4-dihydropyrazol-5-one
CID 131870768
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690
4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
1-[2-(2,4-dichlorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446277
7-[5-methyl-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 70665356
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine (CID 164601785) is 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine is Clc1ccc(OCc2cc(C=C3CCNCC3)ccn2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine?
The InChIKey is XZGNEQQIFOSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c19-15-1-2-18(17(20)11-15)23-12-16-10-14(5-8-22-16)9-13-3-6-21-7-4-13/h1-2,5,8-11,21H,3-4,6-7,12H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine?
2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine has a molecular weight of 349.26 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-4-(piperidin-4-ylidenemethyl)pyridine is sourced from PubChem (CID 164601785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).