3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 61421741

IUPAC3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C13H19ClN2/c1-2-11-5-8-16(9-6-11)13-12(10-14)4-3-7-15-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyFUJNTURSVIJEPI-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.45
Rot. Bonds3

About 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine

3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine (PubChem CID 61421741) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
PubChem CID61421741
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C13H19ClN2/c1-2-11-5-8-16(9-6-11)13-12(10-14)4-3-7-15-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyFUJNTURSVIJEPI-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61421598
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63971575
3-(chloromethyl)-2-(3-fluoropyrrolidin-1-yl)pyridine
CID 90407888
3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63159282
2-[4-[3-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255098
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
3-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61256999
3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
6-[3-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198785
N-[[2-(4-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62284695
[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256468
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine (CID 61421741) is 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine is CCC1CCN(c2ncccc2CCl)CC1.
What is the InChIKey of 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine?
The InChIKey is FUJNTURSVIJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-11-5-8-16(9-6-11)13-12(10-14)4-3-7-15-13/h3-4,7,11H,2,5-6,8-10H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine?
3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 61421741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).