2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine

C22H22N2 — CID 14501352

IUPAC2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine
SMILESC(=C/c1cccc(N2CCCCC2)n1)\c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2/c1-4-15-24(16-5-1)22-10-6-9-21(23-22)14-12-18-11-13-19-7-2-3-8-20(19)17-18/h2-3,6-14,17H,1,4-5,15-16H2/b14-12+
InChIKeyIYUBANVBGPZNAI-WYMLVPIESA-N
MW314.43 g/mol
LogP5.40
Rot. Bonds3

About 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine

2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine (PubChem CID 14501352) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine
PubChem CID14501352
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine
SMILESC(=C/c1cccc(N2CCCCC2)n1)\c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2/c1-4-15-24(16-5-1)22-10-6-9-21(23-22)14-12-18-11-13-19-7-2-3-8-20(19)17-18/h2-3,6-14,17H,1,4-5,15-16H2/b14-12+
InChIKeyIYUBANVBGPZNAI-WYMLVPIESA-N
XLogP5.40
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-8,10-ethanophenanthridine
CID 10447948
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine?
The IUPAC name of 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine (CID 14501352) is 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine.
What is the SMILES notation for 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine?
The canonical SMILES for 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine is C(=C/c1cccc(N2CCCCC2)n1)\c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine?
The InChIKey is IYUBANVBGPZNAI-WYMLVPIESA-N. The full InChI is InChI=1S/C22H22N2/c1-4-15-24(16-5-1)22-10-6-9-21(23-22)14-12-18-11-13-19-7-2-3-8-20(19)17-18/h2-3,6-14,17H,1,4-5,15-16H2/b14-12+.
What are the key properties of 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine?
2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine has a molecular weight of 314.43 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-2-ylethenyl]-6-piperidin-1-ylpyridine is sourced from PubChem (CID 14501352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).