3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride

C22H23ClN2 — CID 14501349

IUPAC3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride
SMILESC(=C\c1cccc2ccccc12)\c1cccnc1N1CCCCC1.Cl
InChIInChI=1S/C22H22N2.ClH/c1-4-16-24(17-5-1)22-20(11-7-15-23-22)14-13-19-10-6-9-18-8-2-3-12-21(18)19;/h2-3,6-15H,1,4-5,16-17H2;1H/b14-13-;
InChIKeyVFSSRKCJJVWUHQ-HPWRNOGASA-N
MW350.89 g/mol
LogP5.82
Rot. Bonds3

About 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride

3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride (PubChem CID 14501349) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride
PubChem CID14501349
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride
SMILESC(=C\c1cccc2ccccc12)\c1cccnc1N1CCCCC1.Cl
InChIInChI=1S/C22H22N2.ClH/c1-4-16-24(17-5-1)22-20(11-7-15-23-22)14-13-19-10-6-9-18-8-2-3-12-21(18)19;/h2-3,6-15H,1,4-5,16-17H2;1H/b14-13-;
InChIKeyVFSSRKCJJVWUHQ-HPWRNOGASA-N
XLogP5.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride (CID 14501349) is 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride is C(=C\c1cccc2ccccc12)\c1cccnc1N1CCCCC1.Cl.
What is the InChIKey of 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is VFSSRKCJJVWUHQ-HPWRNOGASA-N. The full InChI is InChI=1S/C22H22N2.ClH/c1-4-16-24(17-5-1)22-20(11-7-15-23-22)14-13-19-10-6-9-18-8-2-3-12-21(18)19;/h2-3,6-15H,1,4-5,16-17H2;1H/b14-13-;.
What are the key properties of 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride?
3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 14501349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).