3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine

C16H20N2 — CID 22758233

IUPAC3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESC1=C(c2cccnc2)CCC=C1N1CCCCC1
InChIInChI=1S/C16H20N2/c1-2-10-18(11-3-1)16-8-4-6-14(12-16)15-7-5-9-17-13-15/h5,7-9,12-13H,1-4,6,10-11H2
InChIKeyPZVNASVJACMGGP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.63
Rot. Bonds2

About 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine

3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 22758233) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
PubChem CID22758233
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
SMILESC1=C(c2cccnc2)CCC=C1N1CCCCC1
InChIInChI=1S/C16H20N2/c1-2-10-18(11-3-1)16-8-4-6-14(12-16)15-7-5-9-17-13-15/h5,7-9,12-13H,1-4,6,10-11H2
InChIKeyPZVNASVJACMGGP-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine (CID 22758233) is 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine is C1=C(c2cccnc2)CCC=C1N1CCCCC1.
What is the InChIKey of 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is PZVNASVJACMGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-10-18(11-3-1)16-8-4-6-14(12-16)15-7-5-9-17-13-15/h5,7-9,12-13H,1-4,6,10-11H2.
What are the key properties of 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine?
3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 240.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 22758233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).