3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H18Cl2N2O — CID 45270570

IUPAC3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccc(OC(c2cccnc2)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-14-3-4-16(15(19)10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2
InChIKeyVKEVCZGXCJOVET-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.51
Rot. Bonds4

About 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine

3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45270570) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45270570
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccc(OC(c2cccnc2)C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c18-14-3-4-16(15(19)10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2
InChIKeyVKEVCZGXCJOVET-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
4-(2-Chlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983836
2-[(3-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263326
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330
2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263336
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263337
2-[1-(3-Chlorophenyl)propoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263338
2-[1-(3-Chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263339
7-[5-(2-Chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71450030
3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
CID 155555548
4-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 1830297
4-(4-Chlorophenyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983708

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45270570) is 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is Clc1ccc(OC(c2cccnc2)C2CCNCC2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is VKEVCZGXCJOVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-3-4-16(15(19)10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2.
What are the key properties of 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 337.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45270570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).