2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine

C19H23ClN2O — CID 167417070

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3
InChIKeyUFSMNTDLJSCQSA-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.16
Rot. Bonds5

About 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine

2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine (PubChem CID 167417070) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
PubChem CID167417070
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3
InChIKeyUFSMNTDLJSCQSA-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile
CID 164601818
[6-[(2-chloro-4-methylphenoxy)methyl]-2-pyridinyl]-(2,5-dimethylcyclopentyl)methanone
CID 143311484
6-[(2-chloro-4-methylphenoxy)methyl]-N-cyclohexylpyridine-2-carboxamide
CID 58210807
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
6-[(2-chloro-5-methylphenoxy)methyl]-N-methylpyridin-2-amine
CID 79238943
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
CID 107391714
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine (CID 167417070) is 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine is Cc1ccc(OCc2cccc(CC3CCNCC3)n2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
The InChIKey is UFSMNTDLJSCQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-5-6-19(18(20)11-14)23-13-17-4-2-3-16(22-17)12-15-7-9-21-10-8-15/h2-6,11,15,21H,7-10,12-13H2,1H3.
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine?
2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine has a molecular weight of 330.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 167417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).