3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine

C13H19ClN2 — CID 59019495

IUPAC3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16/h8-10H,3-7H2,1-2H3
InChIKeyOYUHHPVOIDXRIC-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.85
Rot. Bonds2

About 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine

3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine (PubChem CID 59019495) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
PubChem CID59019495
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
SMILESCC(C)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16/h8-10H,3-7H2,1-2H3
InChIKeyOYUHHPVOIDXRIC-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine?
The IUPAC name of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine (CID 59019495) is 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine.
What is the SMILES notation for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine?
The canonical SMILES for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine is CC(C)c1cnc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine?
The InChIKey is OYUHHPVOIDXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(2)11-8-12(14)13(15-9-11)16-6-4-3-5-7-16/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine?
3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine has a molecular weight of 238.76 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine is sourced from PubChem (CID 59019495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).