2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine

C13H19ClN2 — CID 95804418

IUPAC2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
SMILESCN1CCCC[C@H]1CCc1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-9-3-2-4-12(16)6-5-11-7-8-15-13(14)10-11/h7-8,10,12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyAWMNAXUFBXSERS-LBPRGKRZSA-N
MW238.76 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine

2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine (PubChem CID 95804418) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
PubChem CID95804418
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
SMILESCN1CCCC[C@H]1CCc1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-9-3-2-4-12(16)6-5-11-7-8-15-13(14)10-11/h7-8,10,12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyAWMNAXUFBXSERS-LBPRGKRZSA-N
XLogP3.15
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 ≤ 53.15
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

2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine
CID 66509910
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
(2S)-1-methyl-2-[2-(4-methylsulfonylphenyl)ethyl]piperidine
CID 97130537
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
(4S)-4-[(2-chloro-4-pyridinyl)methyl]-1-methylazepane
CID 95804791
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
CID 129365039
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine?
The IUPAC name of 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine (CID 95804418) is 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine is CN1CCCC[C@H]1CCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine?
The InChIKey is AWMNAXUFBXSERS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16-9-3-2-4-12(16)6-5-11-7-8-15-13(14)10-11/h7-8,10,12H,2-6,9H2,1H3/t12-/m0/s1.
What are the key properties of 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine?
2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 95804418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).