4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine

C14H21ClN2 — CID 167673329

IUPAC4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine
SMILESCC(C)(C)c1ccnc(N2CCCCC2)c1Cl
InChIInChI=1S/C14H21ClN2/c1-14(2,3)11-7-8-16-13(12(11)15)17-9-5-4-6-10-17/h7-8H,4-6,9-10H2,1-3H3
InChIKeyJBDLLBJKZMOMLD-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.02
Rot. Bonds1

About 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine

4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine (PubChem CID 167673329) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine.

Molecular Properties

Compound Name4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine
PubChem CID167673329
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine
SMILESCC(C)(C)c1ccnc(N2CCCCC2)c1Cl
InChIInChI=1S/C14H21ClN2/c1-14(2,3)11-7-8-16-13(12(11)15)17-9-5-4-6-10-17/h7-8H,4-6,9-10H2,1-3H3
InChIKeyJBDLLBJKZMOMLD-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine?
The IUPAC name of 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine (CID 167673329) is 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine.
What is the SMILES notation for 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine?
The canonical SMILES for 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine is CC(C)(C)c1ccnc(N2CCCCC2)c1Cl.
What is the InChIKey of 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine?
The InChIKey is JBDLLBJKZMOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2,3)11-7-8-16-13(12(11)15)17-9-5-4-6-10-17/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine?
4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine has a molecular weight of 252.79 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-chloro-2-piperidin-1-ylpyridine is sourced from PubChem (CID 167673329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).