2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine

C14H21ClN2 — CID 102542463

IUPAC2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
SMILESCc1cc(Cl)ncc1C1CCCCN1C(C)C
InChIInChI=1S/C14H21ClN2/c1-10(2)17-7-5-4-6-13(17)12-9-16-14(15)8-11(12)3/h8-10,13H,4-7H2,1-3H3
InChIKeyUXNLOLANLPYEGF-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.98
Rot. Bonds2

About 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine

2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine (PubChem CID 102542463) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
PubChem CID102542463
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine
SMILESCc1cc(Cl)ncc1C1CCCCN1C(C)C
InChIInChI=1S/C14H21ClN2/c1-10(2)17-7-5-4-6-13(17)12-9-16-14(15)8-11(12)3/h8-10,13H,4-7H2,1-3H3
InChIKeyUXNLOLANLPYEGF-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine?
The IUPAC name of 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine (CID 102542463) is 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine.
What is the SMILES notation for 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine?
The canonical SMILES for 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine is Cc1cc(Cl)ncc1C1CCCCN1C(C)C.
What is the InChIKey of 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine?
The InChIKey is UXNLOLANLPYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(2)17-7-5-4-6-13(17)12-9-16-14(15)8-11(12)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine?
2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(1-propan-2-ylpiperidin-2-yl)pyridine is sourced from PubChem (CID 102542463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).