4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine

C13H19ClN2O — CID 102965947

IUPAC4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
SMILESCOC1CN(c2cc(CCl)ccn2)CCC1C
InChIInChI=1S/C13H19ClN2O/c1-10-4-6-16(9-12(10)17-2)13-7-11(8-14)3-5-15-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3
InChIKeyPQGZWDCITDOZQC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.68
Rot. Bonds3

About 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine

4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine (PubChem CID 102965947) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
PubChem CID102965947
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
SMILESCOC1CN(c2cc(CCl)ccn2)CCC1C
InChIInChI=1S/C13H19ClN2O/c1-10-4-6-16(9-12(10)17-2)13-7-11(8-14)3-5-15-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3
InChIKeyPQGZWDCITDOZQC-UHFFFAOYSA-N
XLogP2.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.68
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

5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835
2-(4-tert-butylpiperidin-1-yl)-4-(chloromethyl)pyridine
CID 62091611
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
(2S,6R)-4-[4-(chloromethyl)-2-pyridinyl]-2,6-dimethylmorpholine
CID 104959964
[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 103530760
5-(bromomethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 107085467
1-[4-(chloromethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 102965842
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103539475
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
3-[4-(chloromethyl)-2-pyridinyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370754
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine (CID 102965947) is 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine is COC1CN(c2cc(CCl)ccn2)CCC1C.
What is the InChIKey of 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
The InChIKey is PQGZWDCITDOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-4-6-16(9-12(10)17-2)13-7-11(8-14)3-5-15-13/h3,5,7,10,12H,4,6,8-9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine?
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 102965947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).