5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride

C24H27ClN2 — CID 14441280

IUPAC5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride
SMILESCCc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-2-19-18-25-22(17-24(19)26-15-6-3-7-16-26)14-13-21-11-8-10-20-9-4-5-12-23(20)21;/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3;1H/b14-13+;
InChIKeyUIDWIEDVKUCCFM-IERUDJENSA-N
MW378.95 g/mol
LogP6.38
Rot. Bonds4

About 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride

5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride (PubChem CID 14441280) has the molecular formula C24H27ClN2 and a molecular weight of 378.95 g/mol. Its IUPAC name is 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride
PubChem CID14441280
Molecular FormulaC24H27ClN2
Molecular Weight378.95 g/mol
Exact Mass378.19
IUPAC Name5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride
SMILESCCc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C24H26N2.ClH/c1-2-19-18-25-22(17-24(19)26-15-6-3-7-16-26)14-13-21-11-8-10-20-9-4-5-12-23(20)21;/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3;1H/b14-13+;
InChIKeyUIDWIEDVKUCCFM-IERUDJENSA-N
XLogP6.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.95
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride (CID 14441280) is 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride is CCc1cnc(/C=C/c2cccc3ccccc23)cc1N1CCCCC1.Cl.
What is the InChIKey of 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is UIDWIEDVKUCCFM-IERUDJENSA-N. The full InChI is InChI=1S/C24H26N2.ClH/c1-2-19-18-25-22(17-24(19)26-15-6-3-7-16-26)14-13-21-11-8-10-20-9-4-5-12-23(20)21;/h4-5,8-14,17-18H,2-3,6-7,15-16H2,1H3;1H/b14-13+;.
What are the key properties of 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride?
5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 14441280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).