2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene

C21H28N2 — CID 143753321

IUPAC2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene
SMILESC=C(C)c1ccc(N2CCCCC2)nc1.Cc1cccc(C)c1
InChIInChI=1S/C13H18N2.C8H10/c1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-7-4-3-5-8(2)6-7/h6-7,10H,1,3-5,8-9H2,2H3;3-6H,1-2H3
InChIKeyPTNDPZRRQIHSQP-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.41
Rot. Bonds2

About 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene

2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene (PubChem CID 143753321) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene.

Molecular Properties

Compound Name2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene
PubChem CID143753321
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene
SMILESC=C(C)c1ccc(N2CCCCC2)nc1.Cc1cccc(C)c1
InChIInChI=1S/C13H18N2.C8H10/c1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-7-4-3-5-8(2)6-7/h6-7,10H,1,3-5,8-9H2,2H3;3-6H,1-2H3
InChIKeyPTNDPZRRQIHSQP-UHFFFAOYSA-N
XLogP5.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene?
The IUPAC name of 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene (CID 143753321) is 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene.
What is the SMILES notation for 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene?
The canonical SMILES for 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene is C=C(C)c1ccc(N2CCCCC2)nc1.Cc1cccc(C)c1.
What is the InChIKey of 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene?
The InChIKey is PTNDPZRRQIHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C8H10/c1-11(2)12-6-7-13(14-10-12)15-8-4-3-5-9-15;1-7-4-3-5-8(2)6-7/h6-7,10H,1,3-5,8-9H2,2H3;3-6H,1-2H3.
What are the key properties of 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene?
2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene has a molecular weight of 308.47 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-prop-1-en-2-ylpyridine;1,3-xylene is sourced from PubChem (CID 143753321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).