5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine

C14H21ClN2 — CID 62206468

IUPAC5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCN(c2ccc(CCl)cn2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-12-6-8-17(9-7-12)14-5-4-13(10-15)11-16-14/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyBAZQYQPWPMWWOR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.84
Rot. Bonds4

About 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine

5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine (PubChem CID 62206468) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
PubChem CID62206468
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCN(c2ccc(CCl)cn2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-12-6-8-17(9-7-12)14-5-4-13(10-15)11-16-14/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyBAZQYQPWPMWWOR-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.84
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

[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
5-ethyl-2-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]pyridine
CID 178164965
5-(chloromethyl)-2-(3-propylpyrrolidin-1-yl)sulfonylpyridine
CID 113419404
5-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965835
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
5-ethenyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 137453464
5-(chloromethyl)-2-(3-ethyl-3-methylazetidin-1-yl)pyridine
CID 131025881
[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 63971176

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine (CID 62206468) is 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine is CCCC1CCN(c2ccc(CCl)cn2)CC1.
What is the InChIKey of 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine?
The InChIKey is BAZQYQPWPMWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-12-6-8-17(9-7-12)14-5-4-13(10-15)11-16-14/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine?
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine is sourced from PubChem (CID 62206468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).