2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine

C13H19ClN2 — CID 62305973

IUPAC2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
SMILESCCC1CCCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-2-11-4-3-7-16(9-11)10-12-5-6-15-13(14)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyNBZSJPGZCTYBKQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine

2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine (PubChem CID 62305973) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
PubChem CID62305973
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
SMILESCCC1CCCN(Cc2ccnc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-2-11-4-3-7-16(9-11)10-12-5-6-15-13(14)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyNBZSJPGZCTYBKQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472214
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine (CID 62305973) is 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine is CCC1CCCN(Cc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine?
The InChIKey is NBZSJPGZCTYBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-11-4-3-7-16(9-11)10-12-5-6-15-13(14)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine?
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 62305973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).