2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine

C15H23ClN2 — CID 66509910

IUPAC2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine
SMILESCC(C)N1CCCCC1CCc1ccnc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12(2)18-10-4-3-5-14(18)7-6-13-8-9-17-15(16)11-13/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyPXUKXYLVNJDCCL-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.93
Rot. Bonds4

About 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine

2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine (PubChem CID 66509910) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine
PubChem CID66509910
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine
SMILESCC(C)N1CCCCC1CCc1ccnc(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-12(2)18-10-4-3-5-14(18)7-6-13-8-9-17-15(16)11-13/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyPXUKXYLVNJDCCL-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.93
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-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine
CID 95804418
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
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
5-methyl-N-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyrimidin-2-amine
CID 72888385
4-[2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethyl]-6-pyridin-3-ylpyrimidine
CID 95825332
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
(4S)-4-[(2-chloro-4-pyridinyl)methyl]-1-methylazepane
CID 95804791
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
CID 102542463
2-chloro-4-(2-ethylpyrrolidin-1-yl)pyridine
CID 102824042
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine?
The IUPAC name of 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine (CID 66509910) is 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine is CC(C)N1CCCCC1CCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine?
The InChIKey is PXUKXYLVNJDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(2)18-10-4-3-5-14(18)7-6-13-8-9-17-15(16)11-13/h8-9,11-12,14H,3-7,10H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine?
2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine has a molecular weight of 266.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]pyridine is sourced from PubChem (CID 66509910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).