4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine

C12H17ClN2O — CID 102960739

IUPAC4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
SMILESCOc1cc(N2CCC(C)C(Cl)C2)ccn1
InChIInChI=1S/C12H17ClN2O/c1-9-4-6-15(8-11(9)13)10-3-5-14-12(7-10)16-2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyQNYZNMIXVJSYFF-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.54
Rot. Bonds2

About 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine

4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine (PubChem CID 102960739) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine.

Molecular Properties

Compound Name4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
PubChem CID102960739
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine
SMILESCOc1cc(N2CCC(C)C(Cl)C2)ccn1
InChIInChI=1S/C12H17ClN2O/c1-9-4-6-15(8-11(9)13)10-3-5-14-12(7-10)16-2/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyQNYZNMIXVJSYFF-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-chloroethyl)pyrrolidin-1-yl]-2-methoxypyridine
CID 114800882
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204
(1R,5R)-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 139504080
1-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110261
4-[4-(2-bromoethoxy)piperidin-1-yl]-2-methoxypyridine
CID 82701054
1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103357727
2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
CID 116682028
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160457
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine
CID 103757063
lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
CID 171808777

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine?
The IUPAC name of 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine (CID 102960739) is 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine.
What is the SMILES notation for 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine?
The canonical SMILES for 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine is COc1cc(N2CCC(C)C(Cl)C2)ccn1.
What is the InChIKey of 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine?
The InChIKey is QNYZNMIXVJSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-4-6-15(8-11(9)13)10-3-5-14-12(7-10)16-2/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine?
4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine has a molecular weight of 240.73 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylpiperidin-1-yl)-2-methoxypyridine is sourced from PubChem (CID 102960739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).