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

C13H19ClN2 — CID 102878825

IUPAC3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
SMILESCc1cncc(CN2CCCC(CCl)C2)c1
InChIInChI=1S/C13H19ClN2/c1-11-5-13(8-15-7-11)10-16-4-2-3-12(6-14)9-16/h5,7-8,12H,2-4,6,9-10H2,1H3
InChIKeyNQOWUNOFPSFDOQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.84
Rot. Bonds3

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

3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine (PubChem CID 102878825) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
PubChem CID102878825
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
SMILESCc1cncc(CN2CCCC(CCl)C2)c1
InChIInChI=1S/C13H19ClN2/c1-11-5-13(8-15-7-11)10-16-4-2-3-12(6-14)9-16/h5,7-8,12H,2-4,6,9-10H2,1H3
InChIKeyNQOWUNOFPSFDOQ-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.84
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

3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 63388705
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 124621953
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
1-[(3-bromo-5-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 79708872
2-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-3-yl]ethanamine
CID 104800887
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine?
The IUPAC name of 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine (CID 102878825) is 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine.
What is the SMILES notation for 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine?
The canonical SMILES for 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine is Cc1cncc(CN2CCCC(CCl)C2)c1.
What is the InChIKey of 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine?
The InChIKey is NQOWUNOFPSFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11-5-13(8-15-7-11)10-16-4-2-3-12(6-14)9-16/h5,7-8,12H,2-4,6,9-10H2,1H3.
What are the key properties of 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine?
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine has a molecular weight of 238.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine is sourced from PubChem (CID 102878825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).