2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine

C12H17ClN2 — CID 63392190

IUPAC2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
SMILESCc1ccc(N2CCCC(CCl)C2)nc1
InChIInChI=1S/C12H17ClN2/c1-10-4-5-12(14-8-10)15-6-2-3-11(7-13)9-15/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyDOEOIDOGGHCTQR-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds2

About 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine

2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine (PubChem CID 63392190) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
PubChem CID63392190
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
SMILESCc1ccc(N2CCCC(CCl)C2)nc1
InChIInChI=1S/C12H17ClN2/c1-10-4-5-12(14-8-10)15-6-2-3-11(7-13)9-15/h4-5,8,11H,2-3,6-7,9H2,1H3
InChIKeyDOEOIDOGGHCTQR-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
5-methyl-2-[3-[(1-methylazetidin-3-yl)methyl]azetidin-1-yl]pyridine
CID 171070051
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
6-[3-(fluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 121200980

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine?
The IUPAC name of 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine (CID 63392190) is 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine.
What is the SMILES notation for 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine?
The canonical SMILES for 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine is Cc1ccc(N2CCCC(CCl)C2)nc1.
What is the InChIKey of 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine?
The InChIKey is DOEOIDOGGHCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-10-4-5-12(14-8-10)15-6-2-3-11(7-13)9-15/h4-5,8,11H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine?
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine has a molecular weight of 224.73 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine is sourced from PubChem (CID 63392190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).