4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine

C12H17ClN2 — CID 63386661

IUPAC4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
SMILESClCC1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H17ClN2/c13-9-12-3-1-2-8-15(12)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10H2
InChIKeyYLTGRVWDTXYLJU-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.67
Rot. Bonds3

About 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine

4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 63386661) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
PubChem CID63386661
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
SMILESClCC1CCCCN1Cc1ccncc1
InChIInChI=1S/C12H17ClN2/c13-9-12-3-1-2-8-15(12)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10H2
InChIKeyYLTGRVWDTXYLJU-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.67
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

[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 65489547
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601
3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926305
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine (CID 63386661) is 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine is ClCC1CCCCN1Cc1ccncc1.
What is the InChIKey of 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is YLTGRVWDTXYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-9-12-3-1-2-8-15(12)10-11-4-6-14-7-5-11/h4-7,12H,1-3,8-10H2.
What are the key properties of 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine?
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 63386661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).