5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine

C12H17ClN2 — CID 61255734

IUPAC5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
SMILESCC1CCCCN1c1ccc(CCl)cn1
InChIInChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)12-6-5-11(8-13)9-14-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyRUQBPZQUBXKMHW-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.20
Rot. Bonds2

About 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine

5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine (PubChem CID 61255734) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
PubChem CID61255734
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine
SMILESCC1CCCCN1c1ccc(CCl)cn1
InChIInChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)12-6-5-11(8-13)9-14-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyRUQBPZQUBXKMHW-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
2-methoxy-N-[[6-(2-methylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80635743
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
[6-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl] carbamate
CID 174191038
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
[5-chloro-2-(2-methylpiperidin-1-yl)-4-pyridinyl]methanol
CID 114920177
4-[[6-(2-methylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034790
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
[6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62344994

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine (CID 61255734) is 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine is CC1CCCCN1c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine?
The InChIKey is RUQBPZQUBXKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-4-2-3-7-15(10)12-6-5-11(8-13)9-14-12/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine?
5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine has a molecular weight of 224.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 61255734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).